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5-(4-Methylphenyl)-1H-tetrazole

View entire compound with spectra: 3 NMR, 3 FTIR, and 1 Raman

5-(4-Methylphenyl)-1H-tetrazole
SpectraBase Compound ID 37A8GZiqL3
InChI InChI=1S/C8H8N4/c1-6-2-4-7(5-3-6)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)
InChIKey BCCJIAZPYBJASR-UHFFFAOYSA-N
Mol Weight 160.18 g/mol
Molecular Formula C8H8N4
Exact Mass 160.074896 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ynBBA0H76T
Name 5-(P-Tolyl)-1H-tetrazole
CAS Registry Number 24994-04-5
Comments SOLVENT DMSO/H20-MIXTURE (83/17) TAUTOMERISM BETWEEN 1H- AND 2H-TETRAZOLE (88/12)
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C8H8N4
InChI InChI=1S/C8H8N4/c1-6-2-4-7(5-3-6)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)
InChIKey BCCJIAZPYBJASR-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