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2-chloro-5-{5-[(2-pyridinylmethyl)sulfanyl]-1H-tetraazol-1-yl}benzoic acid
SpectraBase Compound ID DN23h8b57VL
InChI InChI=1S/C14H10ClN5O2S/c15-12-5-4-10(7-11(12)13(21)22)20-14(17-18-19-20)23-8-9-3-1-2-6-16-9/h1-7H,8H2,(H,21,22)
InChIKey IAZQOENUTHFUDT-UHFFFAOYSA-N
Mol Weight 347.78 g/mol
Molecular Formula C14H10ClN5O2S
Exact Mass 347.024373 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID vmQAfcbrvP
Name 2-chloro-5-{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/C14H10ClN5O2S/c15-12-5-4-10(7-11(12)13(21)22)20-14(17-18-19-20)23-8-9-3-1-2-6-16-9/h1-7H,8H2,(H,21,22)
InChIKey IAZQOENUTHFUDT-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5955
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: NMR/11241425; Labnumber: LP-3701392; IOH_ID: IOH-005956