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4-[5-(methylsulfanyl)-1H-tetraazol-1-yl]benzoic acid
SpectraBase Compound ID FJjm66CT3Hs
InChI InChI=1S/C9H8N4O2S/c1-16-9-10-11-12-13(9)7-4-2-6(3-5-7)8(14)15/h2-5H,1H3,(H,14,15)
InChIKey RGLFMDVMQULYPX-UHFFFAOYSA-N
Mol Weight 236.25 g/mol
Molecular Formula C9H8N4O2S
Exact Mass 236.036797 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2dHMO21Dqpp
Name 4-[5-(methylsulfanyl)-1H-tetraazol-1-yl]benzoic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C9H8N4O2S/c1-16-9-10-11-12-13(9)7-4-2-6(3-5-7)8(14)15/h2-5H,1H3,(H,14,15)
InChIKey RGLFMDVMQULYPX-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22082
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D58614; Labnumber: SPLUK-0950; SBI_ID: SBI-022086
Temperature 308 °C