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2-({[4-(2-chlorophenyl)-3-(ethoxycarbonyl)-2-thienyl]amino}carbonyl)cyclohexanecarboxylic acid
SpectraBase Compound ID HsVA32oSYUc
InChI InChI=1S/C21H22ClNO5S/c1-2-28-21(27)17-15(12-7-5-6-10-16(12)22)11-29-19(17)23-18(24)13-8-3-4-9-14(13)20(25)26/h5-7,10-11,13-14H,2-4,8-9H2,1H3,(H,23,24)(H,25,26)
InChIKey LVNFFVBQVXCECR-UHFFFAOYSA-N
Mol Weight 435.92 g/mol
Molecular Formula C21H22ClNO5S
Exact Mass 435.090722 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BWUNXA6vxT9
Name 2-({[4-(2-chlorophenyl)-3-(ethoxycarbonyl)-2-thienyl]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/C21H22ClNO5S/c1-2-28-21(27)17-15(12-7-5-6-10-16(12)22)11-29-19(17)23-18(24)13-8-3-4-9-14(13)20(25)26/h5-7,10-11,13-14H,2-4,8-9H2,1H3,(H,23,24)(H,25,26)
InChIKey LVNFFVBQVXCECR-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_20188
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/9125566; Labnumber: U_AM_ACK/031064; UZI_ID: UZI-020196
Temperature 318 °C