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4-Trifluoromethylbenzoic acid, benzyl ester
SpectraBase Compound ID L9Om3RIwaf3
InChI InChI=1S/C15H11F3O2/c16-15(17,18)13-8-6-12(7-9-13)14(19)20-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey ZJZBDICZXNRUPF-UHFFFAOYSA-N
Mol Weight 280.25 g/mol
Molecular Formula C15H11F3O2
Exact Mass 280.071114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HdkOxAGDOLD
Name 4-Trifluoromethylbenzoic acid, benzyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11F3O2
InChI InChI=1S/C15H11F3O2/c16-15(17,18)13-8-6-12(7-9-13)14(19)20-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey ZJZBDICZXNRUPF-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo3012573
Molecular Weight 280.246 g/mol
SMILES c1(C(OCc2ccccc2)=O)ccc(cc1)C(F)(F)F
SPLASH splash10-00di-2910000000-1bb682dcccc3417cd7fa
Source of Spectrum J-77-8348-3de
Synonyms Benzyl 4-(Trifluoromethyl)benzoate 4-(trifluoromethyl)benzoic acid (phenylmethyl) ester (phenylmethyl) 4-(trifluoromethyl)benzoate
Wiley ID 1745242