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2-[(trifluoromethyl)thio]phenylacetic acid ethyl ester
SpectraBase Compound ID 9vamvwS4Ls6
InChI InChI=1S/C11H11F3O2S/c1-2-16-10(15)9(17-11(12,13)14)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKey BUMRWUJBNQWEQE-UHFFFAOYSA-N
Mol Weight 264.26 g/mol
Molecular Formula C11H11F3O2S
Exact Mass 264.043185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 73VzynWK3LV
Name 2-[(trifluoromethyl)thio]phenylacetic acid ethyl ester
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.043185255 u
Formula C11H11F3O2S
InChI InChI=1S/C11H11F3O2S/c1-2-16-10(15)9(17-11(12,13)14)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKey BUMRWUJBNQWEQE-UHFFFAOYSA-N
Instrument Name Varian Saturn 2100 T
Ionization Type EI
Literature Reference DOI 10.1002/chem.201602730
Molecular Weight 264.262 g/mol
Quality 67
Reported Formula C11H11O2F3S
SMILES C(C(=O)OCC)(C1=CC=CC=C1)SC(F)(F)F
SPLASH splash10-0006-0900000000-af7b9d2c55387675af53
Source of Spectrum QE-22-SM28-2af (DOI: 10.1002/chem.201602730)
Wiley ID 1904995