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Benzoic acid, 2-[3,5-di(trifluoromethyl)benzoylthio]-, methyl ester
SpectraBase Compound ID GcWjzGDeYiA
InChI InChI=1S/C17H10F6O3S/c1-26-14(24)12-4-2-3-5-13(12)27-15(25)9-6-10(16(18,19)20)8-11(7-9)17(21,22)23/h2-8H,1H3
InChIKey UITIUQKTRHTXQI-UHFFFAOYSA-N
Mol Weight 408.31 g/mol
Molecular Formula C17H10F6O3S
Exact Mass 408.025484 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID mP2qyYJvLt
Name Benzoic acid, 2-[3,5-di(trifluoromethyl)benzoylthio]-, methyl ester
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Formula C17H10F6O3S
InChI InChI=1S/C17H10F6O3S/c1-26-14(24)12-4-2-3-5-13(12)27-15(25)9-6-10(16(18,19)20)8-11(7-9)17(21,22)23/h2-8H,1H3
InChIKey UITIUQKTRHTXQI-UHFFFAOYSA-N
Molecular Weight 408.314 g/mol
SMILES C(c1cc(C(F)(F)F)cc(C(Sc2c(C(=O)OC)cccc2)=O)c1)(F)(F)F
SPLASH splash10-0006-2490000000-13fc99a305b35a52aab8
Source of Spectrum AD-0-2532-0
Synonyms 2-[[3,5-bis(trifluoromethyl)benzoyl]thio]benzoic acid methyl ester 2-[[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]thio]benzoic acid methyl ester Methyl 2-[3,5-bis(trifluoromethyl)benzoyl]sulfanylbenzoate Methyl 2-[3,5-bis(trifluoromethyl)phenyl]carbonylsulfanylbenzoate
Wiley ID 1428203