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5-METHYLTHIO-1,2,3,4-TETRAZOLE

View entire compound with spectra: 14 NMR, 2 FTIR, and 1 MS (GC)

5-METHYLTHIO-1,2,3,4-TETRAZOLE
SpectraBase Compound ID 4V0EzMgNVmC
InChI InChI=1S/C2H4N4S/c1-7-2-3-5-6-4-2/h1H3,(H,3,4,5,6)
InChIKey ZBXNFTFKKOSPLD-UHFFFAOYSA-N
Mol Weight 116.14 g/mol
Molecular Formula C2H4N4S
Exact Mass 116.015667 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IZnolQiZSxM
Name 5-(Methylthio)-1H-tetrazole
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 448257
CAS Registry Number 29515-99-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C2H4N4S
InChI InChI=1S/C2H4N4S/c1-7-2-3-5-6-4-2/h1H3,(H,3,4,5,6)
InChIKey ZBXNFTFKKOSPLD-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 5-methylsulfanyl-2H-tetrazole 5-(methylsulfanyl)-1H-1,2,3,4-tetrazole
Wiley ID SIAL_13CNMR_009881