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2-[(E)-({[[(4-bromophenyl)sulfonyl](cyclohexyl)amino]acetyl}hydrazono)methyl]benzoic acid
SpectraBase Compound ID 5gDbODXXfQG
InChI InChI=1S/C22H24BrN3O5S/c23-17-10-12-19(13-11-17)32(30,31)26(18-7-2-1-3-8-18)15-21(27)25-24-14-16-6-4-5-9-20(16)22(28)29/h4-6,9-14,18H,1-3,7-8,15H2,(H,25,27)(H,28,29)/b24-14+
InChIKey ASMKZFQJFKVQGL-ZVHZXABRSA-N
Mol Weight 522.41 g/mol
Molecular Formula C22H24BrN3O5S
Exact Mass 521.062005 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G17obA4aItw
Name 2-[(E)-({[[(4-bromophenyl)sulfonyl](cyclohexyl)amino]acetyl}hydrazono)methyl]benzoic 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/C22H24BrN3O5S/c23-17-10-12-19(13-11-17)32(30,31)26(18-7-2-1-3-8-18)15-21(27)25-24-14-16-6-4-5-9-20(16)22(28)29/h4-6,9-14,18H,1-3,7-8,15H2,(H,25,27)(H,28,29)/b24-14+
InChIKey ASMKZFQJFKVQGL-ZVHZXABRSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_30
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: 61345; UBI_ID: UBI-000031
Synonyms 2-[({[[(4-bromophenyl)sulfonyl](cyclohexyl)amino]acetyl}hydrazono)methyl]benzoic acid
Temperature 313 °C