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6-({[3-(methoxycarbonyl)-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
SpectraBase Compound ID G2niiFhP7YJ
InChI InChI=1S/C21H21NO5S/c1-12-7-9-13(10-8-12)16-11-28-19(17(16)21(26)27-2)22-18(23)14-5-3-4-6-15(14)20(24)25/h3-4,7-11,14-15H,5-6H2,1-2H3,(H,22,23)(H,24,25)
InChIKey PWMJTQUXNMHNMJ-UHFFFAOYSA-N
Mol Weight 399.46 g/mol
Molecular Formula C21H21NO5S
Exact Mass 399.114044 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DefCH9sXRlV
Name 6-({[3-(methoxycarbonyl)-4-(4-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/C21H21NO5S/c1-12-7-9-13(10-8-12)16-11-28-19(17(16)21(26)27-2)22-18(23)14-5-3-4-6-15(14)20(24)25/h3-4,7-11,14-15H,5-6H2,1-2H3,(H,22,23)(H,24,25)
InChIKey PWMJTQUXNMHNMJ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_34696
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: 9154560; SBI_ID: SBI-034700
Temperature 306 °C