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Sec-butyl 2-(trifluoromethyl)benzoate
SpectraBase Compound ID 4ZZtfmiKmAY
InChI InChI=1S/C12H13F3O2/c1-3-8(2)17-11(16)9-6-4-5-7-10(9)12(13,14)15/h4-8H,3H2,1-2H3
InChIKey TYTFOHVNWHXXLY-UHFFFAOYSA-N
Mol Weight 246.23 g/mol
Molecular Formula C12H13F3O2
Exact Mass 246.086764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CgWilsdAymx
Name Sec-butyl 2-(trifluoromethyl)benzoate
Alternate Name(s) 2-Trifluoromethylbenzoic acid, 2-butyl ester 2-(trifluoromethyl)benzoic acid butan-2-yl ester Butan-2-yl 2-(trifluoromethyl)benzoate
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Formula C12H13F3O2
InChI InChI=1S/C12H13F3O2/c1-3-8(2)17-11(16)9-6-4-5-7-10(9)12(13,14)15/h4-8H,3H2,1-2H3
InChIKey TYTFOHVNWHXXLY-UHFFFAOYSA-N
Molecular Weight 246.229 g/mol
SMILES c1(ccccc1C(OC(CC)C)=O)C(F)(F)F
SPLASH splash10-00di-3900000000-61b97a51630afb9009d9
Source of Spectrum NP-6-8469-0
Wiley ID 1106064