Nuclear magnetic resonance and mass spectral properties of 5-aryltetrazoles

1968 ◽  
Vol 46 (17) ◽  
pp. 2855-2859 ◽  
Author(s):  
Robert R. Fraser ◽  
K. E. Haque
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Spectral Properties ◽  
Mass Spectra ◽  
Tetrazole Ring ◽  
Coupling Constant ◽  
Mass Spectral ◽  
Methyl Derivatives ◽  
Derivatives Of ◽  
Nuclear Magnetic

The nuclear magnetic resonance and mass spectral behavior of 5-phenyltetrazole, 5-p-nitrophenyl-tetrazole and the 1-methyl and 2-methyl derivatives of each have been determined. Characteristic differences between the spectra of the 1-methyl and 2-methyl isomers have been noted and found to be useful for the purpose of structural assignments. The synthesis of 1- and 2-methyl-5-phenyltetrazole containing 47.5 % of 15N in the 1- and 4-positions of the tetrazole ring aided interpretation of the mass spectra and also allowed measurement of a geminal and a vicinal 15N—H coupling constant.

Nuclear Magnetic Resonance Studies of Methyl Derivatives of Cytosine

1965 ◽  
Vol 87 (24) ◽  
pp. 5575-5582 ◽  
Author(s):  
Edwin D. Becker ◽  
H. Todd Miles ◽  
Robert B. Bradley
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Magnetic Resonance Studies ◽  
Methyl Derivatives ◽  
Derivatives Of ◽  
Nuclear Magnetic

The nuclear magnetic resonance and mass spectra of derivatives of cycloserine

Tetrahedron ◽  
1967 ◽  
Vol 23 (1) ◽  
pp. 65-76 ◽  
Author(s):  
G.W.A. Milne ◽  
L.A. Cohen
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Mass Spectra ◽  
Derivatives Of ◽  
Nuclear Magnetic

Carbon-13 nuclear magnetic resonance spectra in the identification of N-, O or S-methyl derivatives of some tautomeric hydroxy and mercapto nitrogen heterocycles

1984 ◽  
Vol 37 (11) ◽  
pp. 2391 ◽  
Author(s):  
GB Barlin ◽  
DJ Brown ◽  
MD Fenn
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Nitrogen Heterocycles ◽  
Resonance Spectroscopy ◽  
Methyl Groups ◽  
Nuclear Magnetic Resonance Spectra ◽  
Methoxy Groups ◽  
Methyl Derivatives ◽  
Derivatives Of ◽  
Nuclear Magnetic

Carbon-13 nuclear magnetic resonance spectroscopy, in contrast to 1H n.m.r. spectroscopy, has been shown to provide a clear distinction in a variety of nitrogen heterocyclic systems between O-methyl and nuclear N-methyl groups. Methoxy groups were found to occur in the range δ�53.20-61.87, nuclear N-methyl groups at 34.29-49.62, and methylthio groups at 12.35-14.55 for the compounds examined in (D)chloroform. Data for N- and O-methyl derivatives of pyridin-2- and -4-ol,* the corresponding pyrimidines, and some sulfur analogues have been compared with those for the unmethylated parent compounds.

Synthesis and properties of N-Phenyl derivatives of 4,4'-Diaminobenzophenone

1983 ◽  
Vol 36 (2) ◽  
pp. 409 ◽  
Author(s):  
NA Evans
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Mass Spectra ◽  
Reaction Conditions ◽  
Satisfactory Yield ◽  
13C Nuclear Magnetic Resonance ◽  
Derivatives Of ◽  
Nuclear Magnetic

Variations in the reaction conditions during the Ullmann condensation of 4,4'-diaminobenzophenone with iodobenzene and the Goldberg diphenylamine synthesis with 4,4'-dibromobenzophenone and acetanilide or 4,4'-bis(acetamido)benzophenone and iodobenzene yielded the five possible partially and completely N-phenylated 4,4'- diaminobenzophenones. By choice of starting materials, 4,4'-bis(phenylamino)benzophenone could be obtained in satisfactory yield. The infrared, ultraviolet, 1H and 13C nuclear magnetic resonance and mass spectra of the benzophenones are reported.

An unlikely coincidence in coupled 13C nuclear magnetic resonance spectra. 2J(C,H) in 2,6-dichlorotoluene and related molecules

1988 ◽  
Vol 66 (1) ◽  
pp. 184-186
Author(s):  
Ted Schaefer ◽  
James Peeling
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Benzyl Bromide ◽  
Correct Choice ◽  
Theoretical Spectrum ◽  
Coupling Constant ◽  
Nuclear Magnetic Resonance Spectra ◽  
13C Nuclear Magnetic Resonance ◽  
Derivatives Of ◽  
Nuclear Magnetic

Although as many as 13 peaks are observable in each half of the 13C nuclear magnetic resonance spectrum of C-4 in 2,6-dichlorotoluene at 22.6 MHz, the iterative analysis yields an incorrect value of 2J(C,H). Theoretical spectra for two values of this coupling constant are essentially identical under normal linewidth conditions. At 75.5 MHz, the 13C spectrum displays most of the 48 peaks expected for the X part of an AB2XR3 spectrum, yielding the correct choice for 2J(C,H). The theoretical spectrum at 125 MHz is similar to that at 22.6 MHz but only for the correct 2J(C,H). Correct values of 2J(C-4,H) are given for the 2,6-dichloro derivatives of toluene, ethylbenzene, benzyl alcohol, benzyl bromide, and chloride; these were given incorrectly previously.

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