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3-{5-[(2-pyridinylmethyl)sulfanyl]-1H-tetraazol-1-yl}benzoic acid
SpectraBase Compound ID EOvGVRO2goc
InChI InChI=1S/C14H11N5O2S/c20-13(21)10-4-3-6-12(8-10)19-14(16-17-18-19)22-9-11-5-1-2-7-15-11/h1-8H,9H2,(H,20,21)
InChIKey IAWMUIKTWSHZJY-UHFFFAOYSA-N
Mol Weight 313.34 g/mol
Molecular Formula C14H11N5O2S
Exact Mass 313.063346 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CMx2lSBEehc
Name 3-{5-[(2-pyridinylmethyl)sulfanyl]-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/C14H11N5O2S/c20-13(21)10-4-3-6-12(8-10)19-14(16-17-18-19)22-9-11-5-1-2-7-15-11/h1-8H,9H2,(H,20,21)
InChIKey IAWMUIKTWSHZJY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22307
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: D58580; Labnumber: SPLUK-0887; SBI_ID: SBI-022311
Temperature 318 °C