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

SpectraBase Compound ID	NWVQQXAyip
InChI	InChI=1S/C12H8F6O5S/c1-21-9(20)10(11(13,14)15,12(16,17)18)24-8-3-7-6(2-5(8)19)22-4-23-7/h2-3,19H,4H2,1H3
InChIKey	GQMKCJBFRLGXBT-UHFFFAOYSA-N Google Search
Mol Weight	378.24 g/mol
Molecular Formula	C12H8F6O5S
Exact Mass	377.999664 g/mol

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SpectraBase Spectrum ID	3slLohs6s2G
Name	propanoic acid, 3,3,3-trifluoro-2-[(6-hydroxy-1,3-benzodioxol-5-yl)thio]-2-(trifluoromethyl)-, 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	377.999663505 u
Formula	C12H8F6O5S
InChI	InChI=1S/C12H8F6O5S/c1-21-9(20)10(11(13,14)15,12(16,17)18)24-8-3-7-6(2-5(8)19)22-4-23-7/h2-3,19H,4H2,1H3
InChIKey	GQMKCJBFRLGXBT-UHFFFAOYSA-N
Molecular Weight	378.241 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_15604
Solvent	DMSO-d6
Source	Vendor ID: ZI/10039904; Lab Info: SIZ; Lab Number: SIZ-0417061