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4-{[3-(isopropoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl]amino}-4-oxobutanoic acid
SpectraBase Compound ID GiZ6IWiQ386
InChI InChI=1S/C17H23NO5S/c1-10(2)23-17(22)15-11-6-4-3-5-7-12(11)24-16(15)18-13(19)8-9-14(20)21/h10H,3-9H2,1-2H3,(H,18,19)(H,20,21)
InChIKey DMFBRLQAGUGLKY-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 IBK7DH53WKg
Name 4-{[3-(isopropoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[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/C17H23NO5S/c1-10(2)23-17(22)15-11-6-4-3-5-7-12(11)24-16(15)18-13(19)8-9-14(20)21/h10H,3-9H2,1-2H3,(H,18,19)(H,20,21)
InChIKey DMFBRLQAGUGLKY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19664
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/9147410; UBI_ID: UBI-019668
Temperature 318 °C