(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 Google Search
Mol Weight	304.36 g/mol
Molecular Formula	C15H16N2O3S
Exact Mass	304.088164 g/mol

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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