(2E)-4-{[3-(aminocarbonyl)-5,6-dihydro-4H-cyclopenta[b]thien-2-yl]amino}-4-oxo-2-butenoic acid

SpectraBase Compound ID	LM5Lj0lVbbA
InChI	InChI=1S/C12H12N2O4S/c13-11(18)10-6-2-1-3-7(6)19-12(10)14-8(15)4-5-9(16)17/h4-5H,1-3H2,(H2,13,18)(H,14,15)(H,16,17)/b5-4+
InChIKey	IBRIYRXUASBBOC-SNAWJCMRSA-N Google Search
Mol Weight	280.3 g/mol
Molecular Formula	C12H12N2O4S
Exact Mass	280.051778 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	3VshCMR2Ps4
Name	(2E)-4-{[3-(aminocarbonyl)-5,6-dihydro-4H-cyclopenta[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/C12H12N2O4S/c13-11(18)10-6-2-1-3-7(6)19-12(10)14-8(15)4-5-9(16)17/h4-5H,1-3H2,(H2,13,18)(H,14,15)(H,16,17)/b5-4+
InChIKey	IBRIYRXUASBBOC-SNAWJCMRSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_18708
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/9127539; UBI_ID: UBI-018711
Synonyms	4-{[3-(aminocarbonyl)-5,6-dihydro-4H-cyclopenta[b]thien-2-yl]amino}-4-oxo-2-butenoic acid
Temperature	318 °C