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4-{[3-(ethoxycarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxobutanoic acid
SpectraBase Compound ID D8ted0L4ilw
InChI InChI=1S/C17H23NO5S/c1-3-10-5-6-11-12(9-10)24-16(15(11)17(22)23-4-2)18-13(19)7-8-14(20)21/h10H,3-9H2,1-2H3,(H,18,19)(H,20,21)
InChIKey AZGNILTUXNTFJL-UHFFFAOYSA-N
Mol Weight 353.43 g/mol
Molecular Formula C17H23NO5S
Exact Mass 353.129694 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1EvqSPtohOY
Name 4-{[3-(ethoxycarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothien-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/C17H23NO5S/c1-3-10-5-6-11-12(9-10)24-16(15(11)17(22)23-4-2)18-13(19)7-8-14(20)21/h10H,3-9H2,1-2H3,(H,18,19)(H,20,21)
InChIKey AZGNILTUXNTFJL-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16068
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/8067658; UBI_ID: UBI-016071
Temperature 308 °C