2-{(5Z)-5-[4-(allyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanedioic acid

SpectraBase Compound ID	HgKeZi7CsKQ
InChI	InChI=1S/C18H17NO6S2/c1-2-9-25-12-5-3-11(4-6-12)10-14-16(22)19(18(26)27-14)13(17(23)24)7-8-15(20)21/h2-6,10,13H,1,7-9H2,(H,20,21)(H,23,24)/b14-10-
InChIKey	VUJLRVNKPUKODV-UVTDQMKNSA-N Google Search
Mol Weight	407.46 g/mol
Molecular Formula	C18H17NO6S2
Exact Mass	407.04973 g/mol

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SpectraBase Spectrum ID	EpMm1lZz2dM
Name	2-{(5Z)-5-[4-(allyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanedioic 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/C18H17NO6S2/c1-2-9-25-12-5-3-11(4-6-12)10-14-16(22)19(18(26)27-14)13(17(23)24)7-8-15(20)21/h2-6,10,13H,1,7-9H2,(H,20,21)(H,23,24)/b14-10-
InChIKey	VUJLRVNKPUKODV-UVTDQMKNSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_23728
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: D43253; Labnumber: GORPS-013-5073; SBI_ID: SBI-023732
Synonyms	2-{5-[4-(allyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanedioic acid
Temperature	318 °C