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5-(4-nitrophenyl)-2H-tetrazole

View entire compound with spectra: 4 NMR, and 1 MS (GC)

5-(4-nitrophenyl)-2H-tetrazole
SpectraBase Compound ID EZGrkwdOOol
InChI InChI=1S/C7H5N5O2/c13-12(14)6-3-1-5(2-4-6)7-8-10-11-9-7/h1-4H,(H,8,9,10,11)
InChIKey MIUOBAHGBPSRKY-UHFFFAOYSA-N
Mol Weight 191.15 g/mol
Molecular Formula C7H5N5O2
Exact Mass 191.044324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LMMaV7TUv1
Name 5-(4-Nitro-phenyl)-1H-tetrazole
CAS Registry Number 16687-60-8
Comments SOLVENT DMSO/H20-MIXTURE (83/17) TAUTOMERISM BETWEEN 1H- AND 2H-TETRAZOLE (68:32)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H5N5O2
InChI InChI=1S/C7H5N5O2/c13-12(14)6-3-1-5(2-4-6)7-8-10-11-9-7/h1-4H,(H,8,9,10,11)
InChIKey MIUOBAHGBPSRKY-UHFFFAOYSA-N
Instrument Name Jeol FX-60
Literature Reference R.N. Butler, T.M. McEvoy, J. Chem. Soc. Perkin II 1087 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Mixture