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Butyl 3-(trifluoromethyl)benzoate

View entire compound with spectra: 1 MS (GC)

Butyl 3-(trifluoromethyl)benzoate
SpectraBase Compound ID 2G8qgHEAPMr
InChI InChI=1S/C12H13F3O2/c1-2-3-7-17-11(16)9-5-4-6-10(8-9)12(13,14)15/h4-6,8H,2-3,7H2,1H3
InChIKey HDRVUFVGKJLQSX-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 JWchv8nif27
Name Butyl 3-(trifluoromethyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13F3O2
InChI InChI=1S/C12H13F3O2/c1-2-3-7-17-11(16)9-5-4-6-10(8-9)12(13,14)15/h4-6,8H,2-3,7H2,1H3
InChIKey HDRVUFVGKJLQSX-UHFFFAOYSA-N
Molecular Weight 246.229 g/mol
SMILES c1cc(C(OCCCC)=O)cc(c1)C(F)(F)F
SPLASH splash10-0ab9-8900000000-ae5d793a86a97ef29a9f
Source of Spectrum NP-6-8462-0
Synonyms 3-Trifluoromethylbenzoic acid, butyl ester
Wiley ID 1106059