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4-{[3-(ethoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl]amino}-4-oxobutanoic acid
SpectraBase Compound ID G1SDURhr9G2
InChI InChI=1S/C16H21NO5S/c1-2-22-16(21)14-10-6-4-3-5-7-11(10)23-15(14)17-12(18)8-9-13(19)20/h2-9H2,1H3,(H,17,18)(H,19,20)
InChIKey KPHSUFUEWZLFOG-UHFFFAOYSA-N
Mol Weight 339.41 g/mol
Molecular Formula C16H21NO5S
Exact Mass 339.114044 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DaUXXkmb5FD
Name 4-{[3-(ethoxycarbonyl)-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/C16H21NO5S/c1-2-22-16(21)14-10-6-4-3-5-7-11(10)23-15(14)17-12(18)8-9-13(19)20/h2-9H2,1H3,(H,17,18)(H,19,20)
InChIKey KPHSUFUEWZLFOG-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_15946
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/8055214; UBI_ID: UBI-015949
Temperature 308 °C