Acetic acid, trifluoro-, 1-[[(phenylmethyl)thio]methyl]heptyl ester

SpectraBase Compound ID	JFOVBlCU6tR
InChI	InChI=1S/C17H23F3O2S/c1-2-3-4-8-11-15(22-16(21)17(18,19)20)13-23-12-14-9-6-5-7-10-14/h5-7,9-10,15H,2-4,8,11-13H2,1H3
InChIKey	BITZIPYHMMMTNL-UHFFFAOYSA-N Google Search
Mol Weight	348.42 g/mol
Molecular Formula	C17H23F3O2S
Exact Mass	348.137086 g/mol

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SpectraBase Spectrum ID	CMjKs1QaqDX
Name	Acetic acid, trifluoro-, 1-[[(phenylmethyl)thio]methyl]heptyl ester
Alternate Name(s)	1-Benzylthio-2-trifluoroacetoxyoctane 1-[(benzylsulfanyl)methyl]heptyl trifluoroacetate
CAS Registry Number	80437-08-7
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H23F3O2S
InChI	InChI=1S/C17H23F3O2S/c1-2-3-4-8-11-15(22-16(21)17(18,19)20)13-23-12-14-9-6-5-7-10-14/h5-7,9-10,15H,2-4,8,11-13H2,1H3
InChIKey	BITZIPYHMMMTNL-UHFFFAOYSA-N
Molecular Weight	348.424 g/mol
SMILES	C(C(OC(CSCc1ccccc1)CCCCCC)=O)(F)(F)F
SPLASH	splash10-0006-9000000000-8c2ed64083f3208128e6
Source of Spectrum	KC-1985-1042-10
Wiley ID	1340465