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2-({[4-(4-butylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)cyclohexanecarboxylic acid
SpectraBase Compound ID BYaCCUU5K44
InChI InChI=1S/C22H28N2O3S/c1-3-4-7-15-10-12-16(13-11-15)19-14(2)28-22(23-19)24-20(25)17-8-5-6-9-18(17)21(26)27/h10-13,17-18H,3-9H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKey VAFAAFSXTSZXPU-UHFFFAOYSA-N
Mol Weight 400.54 g/mol
Molecular Formula C22H28N2O3S
Exact Mass 400.182064 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L5fH0eaiCiX
Name 2-({[4-(4-butylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)cyclohexanecarboxylic 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/C22H28N2O3S/c1-3-4-7-15-10-12-16(13-11-15)19-14(2)28-22(23-19)24-20(25)17-8-5-6-9-18(17)21(26)27/h10-13,17-18H,3-9H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKey VAFAAFSXTSZXPU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6078
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: UZI/1019771; Labnumber: COL0669; UZI_ID: UZI-006080
Temperature 318 °C