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4-Methylpentyl 3-(trifluoromethyl)benzoate
SpectraBase Compound ID FS816jCgR3M
InChI InChI=1S/C14H17F3O2/c1-10(2)5-4-8-19-13(18)11-6-3-7-12(9-11)14(15,16)17/h3,6-7,9-10H,4-5,8H2,1-2H3
InChIKey MEQLWRCNVITRMF-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 IYCR8MJk5zj
Name 4-Methylpentyl 3-(trifluoromethyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17F3O2
InChI InChI=1S/C14H17F3O2/c1-10(2)5-4-8-19-13(18)11-6-3-7-12(9-11)14(15,16)17/h3,6-7,9-10H,4-5,8H2,1-2H3
InChIKey MEQLWRCNVITRMF-UHFFFAOYSA-N
Molecular Weight 274.283 g/mol
SMILES c1cc(C(OCCCC(C)C)=O)cc(c1)C(F)(F)F
SPLASH splash10-00di-7900000000-5567586beeeef386e5c3
Source of Spectrum NP-8-5652-0
Synonyms 3-Trifluoromethylbenzoic acid, 4-methylpentyl ester 3-(trifluoromethyl)benzoic acid 4-methylpentyl ester isohexyl 3-(trifluoromethyl)benzoate
Wiley ID 1107404