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6-({[3-(ethoxycarbonyl)-4-(3-methylphenyl)-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
SpectraBase Compound ID GscSaQu0QR3
InChI InChI=1S/C22H23NO5S/c1-3-28-22(27)18-17(14-8-6-7-13(2)11-14)12-29-20(18)23-19(24)15-9-4-5-10-16(15)21(25)26/h4-8,11-12,15-16H,3,9-10H2,1-2H3,(H,23,24)(H,25,26)
InChIKey LEEADSBKBGVHNS-UHFFFAOYSA-N
Mol Weight 413.49 g/mol
Molecular Formula C22H23NO5S
Exact Mass 413.129694 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID MDLqEO7qQ
Name 6-({[3-(ethoxycarbonyl)-4-(3-methylphenyl)-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/C22H23NO5S/c1-3-28-22(27)18-17(14-8-6-7-13(2)11-14)12-29-20(18)23-19(24)15-9-4-5-10-16(15)21(25)26/h4-8,11-12,15-16H,3,9-10H2,1-2H3,(H,23,24)(H,25,26)
InChIKey LEEADSBKBGVHNS-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_20177
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/9147269; Labnumber: U_AM_ACK/030755; UZI_ID: UZI-020185
Temperature 313 °C