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benzoic acid, 2-chloro-5-[3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl]-
SpectraBase Compound ID 1lqduIC9Ehw
InChI InChI=1S/C17H14ClN3O4S/c1-24-13-6-3-9(7-14(13)25-2)15-19-20-17(26)21(15)10-4-5-12(18)11(8-10)16(22)23/h3-8H,1-2H3,(H,20,26)(H,22,23)
InChIKey WWTIEJGZWNRGET-UHFFFAOYSA-N
Mol Weight 391.83 g/mol
Molecular Formula C17H14ClN3O4S
Exact Mass 391.039355 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IBpDGyFXyJ3
Name benzoic acid, 2-chloro-5-[3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl]-
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/C17H14ClN3O4S/c1-24-13-6-3-9(7-14(13)25-2)15-19-20-17(26)21(15)10-4-5-12(18)11(8-10)16(22)23/h3-8H,1-2H3,(H,20,26)(H,22,23)
InChIKey WWTIEJGZWNRGET-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_314
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: F03918; Labnumber: NNOBK-8337
Temperature 308 °C