(2E)-4-{[3-(aminocarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl]amino}-4-oxo-2-butenoic acid

SpectraBase Compound ID	cJp2SJHX3l
InChI	InChI=1S/C19H26N2O4S/c20-18(25)17-13-9-7-5-3-1-2-4-6-8-10-14(13)26-19(17)21-15(22)11-12-16(23)24/h11-12H,1-10H2,(H2,20,25)(H,21,22)(H,23,24)/b12-11+
InChIKey	MJRYERHSCVVTDL-VAWYXSNFSA-N Google Search
Mol Weight	378.49 g/mol
Molecular Formula	C19H26N2O4S
Exact Mass	378.161328 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	1JV50zydSng
Name	(2E)-4-{[3-(aminocarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[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/C19H26N2O4S/c20-18(25)17-13-9-7-5-3-1-2-4-6-8-10-14(13)26-19(17)21-15(22)11-12-16(23)24/h11-12H,1-10H2,(H2,20,25)(H,21,22)(H,23,24)/b12-11+
InChIKey	MJRYERHSCVVTDL-VAWYXSNFSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_19315
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/9139852; UBI_ID: UBI-019319
Synonyms	4-{[3-(aminocarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl]amino}-4-oxo-2-butenoic acid
Temperature	318 °C