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benzoic acid, 4-[[[5,6-dihydro-2-[[(3-methoxyphenyl)methyl]amino]-4H-cyclopenta[b]thien-3-yl]carbonyl]amino]-, ethyl ester

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benzoic acid, 4-[[[5,6-dihydro-2-[[(3-methoxyphenyl)methyl]amino]-4H-cyclopenta[b]thien-3-yl]carbonyl]amino]-, ethyl ester
SpectraBase Compound ID 6YyPAh12Cvw
InChI InChI=1S/C25H26N2O4S/c1-3-31-25(29)17-10-12-18(13-11-17)27-23(28)22-20-8-5-9-21(20)32-24(22)26-15-16-6-4-7-19(14-16)30-2/h4,6-7,10-14,26H,3,5,8-9,15H2,1-2H3,(H,27,28)
InChIKey CNXTZAPKEPORIY-UHFFFAOYSA-N
Mol Weight 450.55 g/mol
Molecular Formula C25H26N2O4S
Exact Mass 450.161328 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fyb00IVMR1R
Name benzoic acid, 4-[[[5,6-dihydro-2-[[(3-methoxyphenyl)methyl]amino]-4H-cyclopenta[b]thien-3-yl]carbonyl]amino]-, ethyl ester
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/C25H26N2O4S/c1-3-31-25(29)17-10-12-18(13-11-17)27-23(28)22-20-8-5-9-21(20)32-24(22)26-15-16-6-4-7-19(14-16)30-2/h4,6-7,10-14,26H,3,5,8-9,15H2,1-2H3,(H,27,28)
InChIKey CNXTZAPKEPORIY-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_5603
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: NMR/11288353