For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

5-Mercaptotetrazole-1-acetic acid sodium salt

View entire compound with spectra: 5 NMR, 3 FTIR, and 1 Raman

5-Mercaptotetrazole-1-acetic acid sodium salt
SpectraBase Compound ID IRSWfY4bazB
InChI InChI=1S/C3H4N4O2S.Na/c8-2(9)1-7-3(10)4-5-6-7;/h1H2,(H,8,9)(H,4,6,10);/q;+1/p-1
InChIKey HQPBCGYUKKDAHP-UHFFFAOYSA-M
Mol Weight 182.13276928 g/mol
Molecular Formula C3H3N4NaO2S
Exact Mass 181.987441 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID uRQ9d4l64z
Name 5-Mercapto-1-tetrazoleacetic acid sodium salt
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 359602
CAS Registry Number 113221-74-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C3H3N4NaO2S
InChI InChI=1S/C3H4N4O2S.Na/c8-2(9)1-7-3(10)4-5-6-7;/h1H2,(H,8,9)(H,4,6,10);/q;+1/p-1
InChIKey HQPBCGYUKKDAHP-UHFFFAOYSA-M
Observed nucleus 13C
Purity 97%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_007432