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Benzyl [3',5'-bis(trifluoromethyl)phenylthio]-acetate
SpectraBase Compound ID AdaChof2MSi
InChI InChI=1S/C17H12F6O2S/c18-16(19,20)12-6-13(17(21,22)23)8-14(7-12)26-10-15(24)25-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKey QGJTUZZJRIBZDH-UHFFFAOYSA-N
Mol Weight 394.33 g/mol
Molecular Formula C17H12F6O2S
Exact Mass 394.04622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID fFl5DGxvlA
Name Benzyl [3',5'-bis(trifluoromethyl)phenylthio]-acetate
Alternate Name(s) benzyl {[3,5-bis(trifluoromethyl)phenyl]sulfanyl}acetate
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Formula C17H12F6O2S
InChI InChI=1S/C17H12F6O2S/c18-16(19,20)12-6-13(17(21,22)23)8-14(7-12)26-10-15(24)25-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKey QGJTUZZJRIBZDH-UHFFFAOYSA-N
Molecular Weight 394.331 g/mol
SMILES C(c1cc(C(F)(F)F)cc(c1)SCC(=O)OCc1ccccc1)(F)(F)F
SPLASH splash10-0006-9000000000-b6f1d51684c1ec964c2b
Source of Spectrum H-85-4295-11
Wiley ID 1525155