6-[(5Z)-5-(2-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid

SpectraBase Compound ID	3hWUhV06Mmm
InChI	InChI=1S/C16H16BrNO3S2/c17-12-7-4-3-6-11(12)10-13-15(21)18(16(22)23-13)9-5-1-2-8-14(19)20/h3-4,6-7,10H,1-2,5,8-9H2,(H,19,20)/b13-10-
InChIKey	QTTKDGTYYQTONV-RAXLEYEMSA-N Google Search
Mol Weight	414.33 g/mol
Molecular Formula	C16H16BrNO3S2
Exact Mass	412.975499 g/mol

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SpectraBase Spectrum ID	EUzWsfUOsWT
Name	6-[(5Z)-5-(2-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic 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/C16H16BrNO3S2/c17-12-7-4-3-6-11(12)10-13-15(21)18(16(22)23-13)9-5-1-2-8-14(19)20/h3-4,6-7,10H,1-2,5,8-9H2,(H,19,20)/b13-10-
InChIKey	QTTKDGTYYQTONV-RAXLEYEMSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_24364
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: D46545; Labnumber: SPYEL-4625; SBI_ID: SBI-024368
Synonyms	6-[5-(2-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
Temperature	308 °C