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(2Z)-3-(5-chloro-2-methoxyphenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-2-propenoic acid
SpectraBase Compound ID EV8S6NNzjsX
InChI InChI=1S/C13H12ClN3O3S/c1-7-15-13(17-16-7)21-11(12(18)19)6-8-5-9(14)3-4-10(8)20-2/h3-6H,1-2H3,(H,18,19)(H,15,16,17)/b11-6-
InChIKey IEWQHMZNEMGCNL-WDZFZDKYSA-N
Mol Weight 325.77 g/mol
Molecular Formula C13H12ClN3O3S
Exact Mass 325.02879 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1YpU6DANSQP
Name (2Z)-3-(5-chloro-2-methoxyphenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-2-propenoic 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/C13H12ClN3O3S/c1-7-15-13(17-16-7)21-11(12(18)19)6-8-5-9(14)3-4-10(8)20-2/h3-6H,1-2H3,(H,18,19)(H,15,16,17)/b11-6-
InChIKey IEWQHMZNEMGCNL-WDZFZDKYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29062
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: D90910; Labnumber: SPDEM5-39485; SBI_ID: SBI-029066
Synonyms 3-(5-chloro-2-methoxyphenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-2-propenoic acid
Temperature 308 °C