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propanehydrazonothioic acid, N-(4-methoxyphenyl)-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-(4-methoxyphenyl)-2-oxo-, 5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl ester, (1E)-
SpectraBase Compound ID 1g3GwcQBPx0
InChI InChI=1S/C31H33N5O3S/c1-22(37)30(34-32-25-15-19-27(38-2)20-16-25)40-31-35-33-29(36(31)26-11-7-4-8-12-26)21-39-28-17-13-24(14-18-28)23-9-5-3-6-10-23/h4,7-8,11-20,23,32H,3,5-6,9-10,21H2,1-2H3/b34-30+
InChIKey CACJWNAAWBGUDC-VBMGMRCRSA-N
Mol Weight 555.7 g/mol
Molecular Formula C31H33N5O3S
Exact Mass 555.230411 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C09dvuZZym4
Name propanehydrazonothioic acid, N-(4-methoxyphenyl)-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/C31H33N5O3S/c1-22(37)30(34-32-25-15-19-27(38-2)20-16-25)40-31-35-33-29(36(31)26-11-7-4-8-12-26)21-39-28-17-13-24(14-18-28)23-9-5-3-6-10-23/h4,7-8,11-20,23,32H,3,5-6,9-10,21H2,1-2H3/b34-30+
InChIKey CACJWNAAWBGUDC-VBMGMRCRSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_2001
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/9243375; Labnumber: LP-0301435
Temperature 303 °C