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(2E)-4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)amino]-4-oxo-2-butenoic acid
SpectraBase Compound ID I1xyZtC4l7H
InChI InChI=1S/C15H16N2O3S/c16-9-11-10-5-3-1-2-4-6-12(10)21-15(11)17-13(18)7-8-14(19)20/h7-8H,1-6H2,(H,17,18)(H,19,20)/b8-7+
InChIKey QVCOOENEXPULTC-BQYQJAHWSA-N
Mol Weight 304.36 g/mol
Molecular Formula C15H16N2O3S
Exact Mass 304.088164 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cp5XXSgAduj
Name (2E)-4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)amino]-4-oxo-2-butenoic 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/C15H16N2O3S/c16-9-11-10-5-3-1-2-4-6-12(10)21-15(11)17-13(18)7-8-14(19)20/h7-8H,1-6H2,(H,17,18)(H,19,20)/b8-7+
InChIKey QVCOOENEXPULTC-BQYQJAHWSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_12873
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/8021439; Labnumber: NSB0015770; UZI_ID: UZI-012877
Synonyms 4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)amino]-4-oxo-2-butenoic acid
Temperature 318 °C