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4-Methylpentyl 2-(trifluoromethyl)benzoate
SpectraBase Compound ID 5VqT8FnXOUI
InChI InChI=1S/C14H17F3O2/c1-10(2)6-5-9-19-13(18)11-7-3-4-8-12(11)14(15,16)17/h3-4,7-8,10H,5-6,9H2,1-2H3
InChIKey MSKQWFLMXDYXCP-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 3ippEbxExt9
Name 4-Methylpentyl 2-(trifluoromethyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17F3O2
InChI InChI=1S/C14H17F3O2/c1-10(2)6-5-9-19-13(18)11-7-3-4-8-12(11)14(15,16)17/h3-4,7-8,10H,5-6,9H2,1-2H3
InChIKey MSKQWFLMXDYXCP-UHFFFAOYSA-N
Molecular Weight 274.283 g/mol
SMILES c1ccc(c(c1)C(OCCCC(C)C)=O)C(F)(F)F
SPLASH splash10-00di-4900000000-f5b046fe2e83495d7e11
Source of Spectrum NP-8-5653-0
Synonyms 2-Trifluoromethylbenzoic acid, 4-methylpentyl ester 2-(trifluoromethyl)benzoic acid 4-methylpentyl ester isohexyl 2-(trifluoromethyl)benzoate
Wiley ID 1107405