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4-Methylpentyl 4-(trifluoromethyl)benzoate
SpectraBase Compound ID D7adTIwPV1T
InChI InChI=1S/C14H17F3O2/c1-10(2)4-3-9-19-13(18)11-5-7-12(8-6-11)14(15,16)17/h5-8,10H,3-4,9H2,1-2H3
InChIKey HJHBXYBOHZSBBO-UHFFFAOYSA-N
Mol Weight 274.28 g/mol
Molecular Formula C14H17F3O2
Exact Mass 274.118064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9xDRq8DdeO
Name 4-Methylpentyl 4-(trifluoromethyl)benzoate
Alternate Name(s) 4-Trifluoromethylbenzoic acid, 4-methylpentyl ester 4-(trifluoromethyl)benzoic acid 4-methylpentyl ester isohexyl 4-(trifluoromethyl)benzoate
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Formula C14H17F3O2
InChI InChI=1S/C14H17F3O2/c1-10(2)4-3-9-19-13(18)11-5-7-12(8-6-11)14(15,16)17/h5-8,10H,3-4,9H2,1-2H3
InChIKey HJHBXYBOHZSBBO-UHFFFAOYSA-N
Molecular Weight 274.283 g/mol
SMILES CC(C)CCCOC(=O)c1ccc(C(F)(F)F)cc1
SPLASH splash10-05x3-9200000000-2d5d4232be05d978dbd5
Source of Spectrum NP-8-5647-0
Wiley ID 1107403