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2-({[3-(methoxycarbonyl)-4-(3-methylphenyl)-2-thienyl]amino}carbonyl)cyclohexanecarboxylic acid
SpectraBase Compound ID 6JtPjihct7h
InChI InChI=1S/C21H23NO5S/c1-12-6-5-7-13(10-12)16-11-28-19(17(16)21(26)27-2)22-18(23)14-8-3-4-9-15(14)20(24)25/h5-7,10-11,14-15H,3-4,8-9H2,1-2H3,(H,22,23)(H,24,25)
InChIKey KRQONZAGIJSUPH-UHFFFAOYSA-N
Mol Weight 401.48 g/mol
Molecular Formula C21H23NO5S
Exact Mass 401.129694 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IPod4lyuXT2
Name 2-({[3-(methoxycarbonyl)-4-(3-methylphenyl)-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/C21H23NO5S/c1-12-6-5-7-13(10-12)16-11-28-19(17(16)21(26)27-2)22-18(23)14-8-3-4-9-15(14)20(24)25/h5-7,10-11,14-15H,3-4,8-9H2,1-2H3,(H,22,23)(H,24,25)
InChIKey KRQONZAGIJSUPH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_20060
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/9162457; Labnumber: U_AM_ACK/026598; UZI_ID: UZI-020068
Temperature 318 °C