2-[3-bromanyl-4-[(2-cyanophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate

SpectraBase Compound ID	GvLsm7aIXqZ
InChI	InChI=1S/C18H15BrN2O3S/c19-14-7-11(17-21-15(10-25-17)18(22)23)5-6-16(14)24-9-13-4-2-1-3-12(13)8-20/h1-7,15,17,21H,9-10H2,(H,22,23)
InChIKey	NVFQVROOVDDCDH-UHFFFAOYSA-N Google Search
Mol Weight	419.29 g/mol
Molecular Formula	C18H15BrN2O3S
Exact Mass	417.998677 g/mol

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SpectraBase Spectrum ID	9HBwV73Qnae
Name	4-thiazolidinecarboxylic acid, 2-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	417.998676522 u
Formula	C18H15BrN2O3S
InChI	InChI=1S/C18H15BrN2O3S/c19-14-7-11(17-21-15(10-25-17)18(22)23)5-6-16(14)24-9-13-4-2-1-3-12(13)8-20/h1-7,15,17,21H,9-10H2,(H,22,23)
InChIKey	NVFQVROOVDDCDH-UHFFFAOYSA-N
Molecular Weight	419.293 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_4900
Solvent	DMSO-d6
Source	Vendor ID: ZI/8158981; Lab Info: LD; Lab Number: LD-6a05964