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Butyl 2-(trifluoromethyl)benzoate
SpectraBase Compound ID fsa4qxjHQ3
InChI InChI=1S/C12H13F3O2/c1-2-3-8-17-11(16)9-6-4-5-7-10(9)12(13,14)15/h4-7H,2-3,8H2,1H3
InChIKey WTBMXBWDGDYYLP-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 3jvVgFZddXb
Name Butyl 2-(trifluoromethyl)benzoate
Alternate Name(s) 2-Trifluoromethylbenzoic acid, butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13F3O2
InChI InChI=1S/C12H13F3O2/c1-2-3-8-17-11(16)9-6-4-5-7-10(9)12(13,14)15/h4-7H,2-3,8H2,1H3
InChIKey WTBMXBWDGDYYLP-UHFFFAOYSA-N
Molecular Weight 246.229 g/mol
SMILES c1cc(C(=O)OCCCC)c(cc1)C(F)(F)F
SPLASH splash10-05fr-5900000000-c9f828396b6366c2b341
Source of Spectrum NP-6-8463-0
Wiley ID 1106060