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4-(Trifluoromethyl)benzyl 4-Cyanobenzoate
SpectraBase Compound ID 1zLXbvR0zR3
InChI InChI=1S/C16H10F3NO2/c17-16(18,19)14-7-3-12(4-8-14)10-22-15(21)13-5-1-11(9-20)2-6-13/h1-8H,10H2
InChIKey XXDAUVFTTYOVLN-UHFFFAOYSA-N
Mol Weight 305.26 g/mol
Molecular Formula C16H10F3NO2
Exact Mass 305.066363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8P86YsGY0oD
Name 4-(Trifluoromethyl)benzyl 4-Cyanobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10F3NO2
InChI InChI=1S/C16H10F3NO2/c17-16(18,19)14-7-3-12(4-8-14)10-22-15(21)13-5-1-11(9-20)2-6-13/h1-8H,10H2
InChIKey XXDAUVFTTYOVLN-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo3012573
Molecular Weight 305.256 g/mol
SMILES c1(C(=O)OCc2ccc(cc2)C(F)(F)F)ccc(cc1)C#N
SPLASH splash10-053r-0901000000-2f120316e779c0f5e514
Source of Spectrum J-77-8348-3eb
Synonyms 4-Cyanobenzoic acid [4-(trifluoromethyl)phenyl]methyl ester [4-(trifluoromethyl)phenyl]methyl 4-cyanobenzoate
Wiley ID 1745244