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propanehydrazonothioic acid, N-(3-chlorophenyl)-2-oxo-, 5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl ester, (1E)-

View entire compound with spectra: 1 NMR

propanehydrazonothioic acid, N-(3-chlorophenyl)-2-oxo-, 5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl ester, (1E)-
SpectraBase Compound ID KU6RKD6iwPa
InChI InChI=1S/C30H30ClN5O2S/c1-21(37)29(34-32-25-12-8-11-24(31)19-25)39-30-35-33-28(36(30)26-13-6-3-7-14-26)20-38-27-17-15-23(16-18-27)22-9-4-2-5-10-22/h3,6-8,11-19,22,32H,2,4-5,9-10,20H2,1H3/b34-29+
InChIKey DXBBTXNOFPNCFR-RIHQVDFKSA-N
Mol Weight 560.12 g/mol
Molecular Formula C30H30ClN5O2S
Exact Mass 559.180874 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5Hxjx7o7Bnq
Name propanehydrazonothioic acid, N-(3-chlorophenyl)-2-oxo-, 5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl ester, (1E)-
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/C30H30ClN5O2S/c1-21(37)29(34-32-25-12-8-11-24(31)19-25)39-30-35-33-28(36(30)26-13-6-3-7-14-26)20-38-27-17-15-23(16-18-27)22-9-4-2-5-10-22/h3,6-8,11-19,22,32H,2,4-5,9-10,20H2,1H3/b34-29+
InChIKey DXBBTXNOFPNCFR-RIHQVDFKSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_2000
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/9243374; Labnumber: LP-0301433
Temperature 303 °C