4-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}butanoic acid

SpectraBase Compound ID	1fqgvIiihHg
InChI	InChI=1S/C22H29NO5S/c1-2-3-4-5-6-7-15-28-18-12-10-17(11-13-18)16-19-21(26)23(22(27)29-19)14-8-9-20(24)25/h10-13,16H,2-9,14-15H2,1H3,(H,24,25)/b19-16-
InChIKey	YJZRSMZRBMHHKT-MNDPQUGUSA-N Google Search
Mol Weight	419.54 g/mol
Molecular Formula	C22H29NO5S
Exact Mass	419.176644 g/mol

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SpectraBase Spectrum ID	1W9FQbnczTX
Name	4-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}butanoic 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/C22H29NO5S/c1-2-3-4-5-6-7-15-28-18-12-10-17(11-13-18)16-19-21(26)23(22(27)29-19)14-8-9-20(24)25/h10-13,16H,2-9,14-15H2,1H3,(H,24,25)/b19-16-
InChIKey	YJZRSMZRBMHHKT-MNDPQUGUSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_21491
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: D54933; Labnumber: GORPS-088-3695; SBI_ID: SBI-021495
Synonyms	4-{5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}butanoic acid
Temperature	318 °C