For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-{[3-(ethoxycarbonyl)-4-(4-isobutylphenyl)-5-methyl-2-thienyl]amino}-4-oxobutanoic acid
SpectraBase Compound ID KAWN911LYRl
InChI InChI=1S/C22H27NO5S/c1-5-28-22(27)20-19(16-8-6-15(7-9-16)12-13(2)3)14(4)29-21(20)23-17(24)10-11-18(25)26/h6-9,13H,5,10-12H2,1-4H3,(H,23,24)(H,25,26)
InChIKey YCVIMOYJRGZZTK-UHFFFAOYSA-N
Mol Weight 417.52 g/mol
Molecular Formula C22H27NO5S
Exact Mass 417.160994 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1ACoBarqu4v
Name 4-{[3-(ethoxycarbonyl)-4-(4-isobutylphenyl)-5-methyl-2-thienyl]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/C22H27NO5S/c1-5-28-22(27)20-19(16-8-6-15(7-9-16)12-13(2)3)14(4)29-21(20)23-17(24)10-11-18(25)26/h6-9,13H,5,10-12H2,1-4H3,(H,23,24)(H,25,26)
InChIKey YCVIMOYJRGZZTK-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_15133
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/9122434; Labnumber: NSB-0095934; UZI_ID: UZI-015137
Temperature 308 °C