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

SpectraBase Compound ID	K2lXGO8oiIF
InChI	InChI=1S/C21H27NO5S/c1-2-3-4-5-6-7-14-27-17-10-8-16(9-11-17)15-18-20(25)22(21(26)28-18)13-12-19(23)24/h8-11,15H,2-7,12-14H2,1H3,(H,23,24)/b18-15-
InChIKey	XNHPOBAEBHCWOH-SDXDJHTJSA-N Google Search
Mol Weight	405.51 g/mol
Molecular Formula	C21H27NO5S
Exact Mass	405.160994 g/mol

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SpectraBase Spectrum ID	H7WHns0zjlP
Name	3-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoic 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/C21H27NO5S/c1-2-3-4-5-6-7-14-27-17-10-8-16(9-11-17)15-18-20(25)22(21(26)28-18)13-12-19(23)24/h8-11,15H,2-7,12-14H2,1H3,(H,23,24)/b18-15-
InChIKey	XNHPOBAEBHCWOH-SDXDJHTJSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_21481
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: D54921; Labnumber: GORPS-087-3695; SBI_ID: SBI-021485
Synonyms	3-{5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoic acid
Temperature	318 °C