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6-({[4-(4-cyclohexylphenyl)-3-(ethoxycarbonyl)-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
SpectraBase Compound ID LWI0jA83hV7
InChI InChI=1S/C27H31NO5S/c1-2-33-27(32)23-22(19-14-12-18(13-15-19)17-8-4-3-5-9-17)16-34-25(23)28-24(29)20-10-6-7-11-21(20)26(30)31/h6-7,12-17,20-21H,2-5,8-11H2,1H3,(H,28,29)(H,30,31)
InChIKey QCLXOTFTXRWJIK-UHFFFAOYSA-N
Mol Weight 481.61 g/mol
Molecular Formula C27H31NO5S
Exact Mass 481.192294 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8av2ox9mIa1
Name 6-({[4-(4-cyclohexylphenyl)-3-(ethoxycarbonyl)-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic 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/C27H31NO5S/c1-2-33-27(32)23-22(19-14-12-18(13-15-19)17-8-4-3-5-9-17)16-34-25(23)28-24(29)20-10-6-7-11-21(20)26(30)31/h6-7,12-17,20-21H,2-5,8-11H2,1H3,(H,28,29)(H,30,31)
InChIKey QCLXOTFTXRWJIK-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_20255
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/9192687; Labnumber: U_AM_ACK/033989; UZI_ID: UZI-020263
Temperature 308 °C