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acetic acid, [[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-[4-(methylthio)phenyl]methylidene]hydrazide

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acetic acid, [[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-[4-(methylthio)phenyl]methylidene]hydrazide
SpectraBase Compound ID JGsslK30vNB
InChI InChI=1S/C27H27N5O4S2/c1-34-22-14-19(15-23(35-2)25(22)36-3)26-30-31-27(32(26)20-8-6-5-7-9-20)38-17-24(33)29-28-16-18-10-12-21(37-4)13-11-18/h5-16H,17H2,1-4H3,(H,29,33)/b28-16+
InChIKey MCDPFNIGQSISLT-LQKURTRISA-N
Mol Weight 549.66 g/mol
Molecular Formula C27H27N5O4S2
Exact Mass 549.150447 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FcPXABPnsmA
Name acetic acid, [[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-[4-(methylthio)phenyl]methylidene]hydrazide
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/C27H27N5O4S2/c1-34-22-14-19(15-23(35-2)25(22)36-3)26-30-31-27(32(26)20-8-6-5-7-9-20)38-17-24(33)29-28-16-18-10-12-21(37-4)13-11-18/h5-16H,17H2,1-4H3,(H,29,33)/b28-16+
InChIKey MCDPFNIGQSISLT-LQKURTRISA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5358
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/10249802