3-Phenylpropanoic acid 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl ester

SpectraBase Compound ID	G7uHAw0X1sB
InChI	InChI=1S/C19H16F6O4S/c20-18(21,22)14-10-15(19(23,24)25)12-16(11-14)30(27,28)9-8-29-17(26)7-6-13-4-2-1-3-5-13/h1-5,10-12H,6-9H2
InChIKey	ZCDFJQAUHDPMOB-UHFFFAOYSA-N Google Search
Mol Weight	454.38 g/mol
Molecular Formula	C19H16F6O4S
Exact Mass	454.067349 g/mol

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SpectraBase Spectrum ID	5s4r2vDc4kg
Name	3-Phenylpropanoic acid 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C19H16F6O4S
InChI	InChI=1S/C19H16F6O4S/c20-18(21,22)14-10-15(19(23,24)25)12-16(11-14)30(27,28)9-8-29-17(26)7-6-13-4-2-1-3-5-13/h1-5,10-12H,6-9H2
InChIKey	ZCDFJQAUHDPMOB-UHFFFAOYSA-N
Molecular Weight	454.383 g/mol
SMILES	C(CCc1ccccc1)(=O)OCCS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
SPLASH	splash10-0bt9-5950000000-0bfc8e16473e535f58f6
Source of Spectrum	CV-2003-283-4
Synonyms	3-Phenylpropionic acid 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl ester
Wiley ID	1610785