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4-Trifluoromethylbenzoic acid, 4-cyanophenyl ester
SpectraBase Compound ID LwoPhxmPJnS
InChI InChI=1S/C15H8F3NO2/c16-15(17,18)12-5-3-11(4-6-12)14(20)21-13-7-1-10(9-19)2-8-13/h1-8H
InChIKey FMQZMNLXCPDUQX-UHFFFAOYSA-N
Mol Weight 291.23 g/mol
Molecular Formula C15H8F3NO2
Exact Mass 291.050713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H0Jg4eIhjjN
Name 4-Trifluoromethylbenzoic acid, 4-cyanophenyl ester
Alternate Name(s) (4-cyanophenyl) 4-(trifluoromethyl)benzoate
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Formula C15H8F3NO2
InChI InChI=1S/C15H8F3NO2/c16-15(17,18)12-5-3-11(4-6-12)14(20)21-13-7-1-10(9-19)2-8-13/h1-8H
InChIKey FMQZMNLXCPDUQX-UHFFFAOYSA-N
Molecular Weight 291.229 g/mol
SMILES c1c(ccc(c1)C(Oc1ccc(C#N)cc1)=O)C(F)(F)F
SPLASH splash10-00di-0900000000-5049129f73a88999cdbb
Source of Spectrum NP-9-5634-0
Wiley ID 1108211