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4-phenyl-2-tetrazoline-5-thione

View entire compound with spectra: 23 NMR, 4 FTIR, 1 Raman, 2 UV-Vis, and 4 MS (GC)

4-phenyl-2-tetrazoline-5-thione
SpectraBase Compound ID 6aUUHgBP4X2
InChI InChI=1S/C7H6N4S/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h1-5H,(H,8,10,12)
InChIKey GGZHVNZHFYCSEV-UHFFFAOYSA-N
Mol Weight 178.21 g/mol
Molecular Formula C7H6N4S
Exact Mass 178.031317 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BVjKvFwOMmw
Name 1-Phenyl-1H-tetrazole-5-thiol
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 169897
CAS Registry Number 86-93-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6N4S
InChI InChI=1S/C7H6N4S/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h1-5H,(H,8,10,12)
InChIKey GGZHVNZHFYCSEV-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1-Phenyl-5-mercaptotetrazole 1-Phenyltetrazoline-5-thione 5-Mercapto-1-phenyltetrazole
Wiley ID SIAL_13CNMR_002069