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4-({3-[(4-ethoxyanilino)carbonyl]-5,6-dihydro-4H-cyclopenta[b]thien-2-yl}amino)-4-oxobutanoic acid
SpectraBase Compound ID E7NZxUCi5Ri
InChI InChI=1S/C20H22N2O5S/c1-2-27-13-8-6-12(7-9-13)21-19(26)18-14-4-3-5-15(14)28-20(18)22-16(23)10-11-17(24)25/h6-9H,2-5,10-11H2,1H3,(H,21,26)(H,22,23)(H,24,25)
InChIKey BXPKZWSAHGGGLC-UHFFFAOYSA-N
Mol Weight 402.47 g/mol
Molecular Formula C20H22N2O5S
Exact Mass 402.124943 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GIvrtL8Ir7s
Name 4-({3-[(4-ethoxyanilino)carbonyl]-5,6-dihydro-4H-cyclopenta[b]thien-2-yl}amino)-4-oxobutanoic 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/C20H22N2O5S/c1-2-27-13-8-6-12(7-9-13)21-19(26)18-14-4-3-5-15(14)28-20(18)22-16(23)10-11-17(24)25/h6-9H,2-5,10-11H2,1H3,(H,21,26)(H,22,23)(H,24,25)
InChIKey BXPKZWSAHGGGLC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1022
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: /VSVE61146; UBI_ID: UBI-001023
Temperature 318 °C