3,3-Difluoro-3-(6-hydroxy-benzo[1,3]dioxol-5-ylsulfanyl)-2-trifluoromethyl-propionic acid methyl ester

SpectraBase Compound ID	HcBUE4Bkt7k
InChI	InChI=1S/C12H9F5O5S/c1-20-10(19)9(11(13,14)15)12(16,17)23-8-3-7-6(2-5(8)18)21-4-22-7/h2-3,9,18H,4H2,1H3
InChIKey	APNIKOAEWLEPFY-UHFFFAOYSA-N Google Search
Mol Weight	360.25 g/mol
Molecular Formula	C12H9F5O5S
Exact Mass	360.009085 g/mol

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SpectraBase Spectrum ID	TdoeSGypI9
Name	propanoic acid, 2-[difluoro[(6-hydroxy-1,3-benzodioxol-5-yl)thio]methyl]-3,3,3-trifluoro-, methyl ester
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	360.009085374 u
Formula	C12H9F5O5S
InChI	InChI=1S/C12H9F5O5S/c1-20-10(19)9(11(13,14)15)12(16,17)23-8-3-7-6(2-5(8)18)21-4-22-7/h2-3,9,18H,4H2,1H3
InChIKey	APNIKOAEWLEPFY-UHFFFAOYSA-N
Molecular Weight	360.251 g/mol
NMR Offset	17.9878
NMR Spectrometer Frequency	500.132
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_17404
Solvent	CDCl3
Source	Vendor ID: ZI/10039441; Lab Info: SIZ; Lab Number: SIZ-0417064