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4-(Cyanomethyl)phenyl 2-chloro-4-(trifluoromethyl)nicotinate
SpectraBase Compound ID FvRbweaD0Rw
InChI InChI=1S/C15H8ClF3N2O2/c16-13-12(11(6-8-21-13)15(17,18)19)14(22)23-10-3-1-9(2-4-10)5-7-20/h1-4,6,8H,5H2
InChIKey ZZRUWDBGRQFVOO-UHFFFAOYSA-N
Mol Weight 340.69 g/mol
Molecular Formula C15H8ClF3N2O2
Exact Mass 340.02264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKBqDi76Tqb
Name 4-(Cyanomethyl)phenyl 2-chloro-4-(trifluoromethyl)nicotinate
CAS Registry Number 288246-18-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H8ClF3N2O2
InChI InChI=1S/C15H8ClF3N2O2/c16-13-12(11(6-8-21-13)15(17,18)19)14(22)23-10-3-1-9(2-4-10)5-7-20/h1-4,6,8H,5H2
InChIKey ZZRUWDBGRQFVOO-UHFFFAOYSA-N
Molecular Weight 340.689 g/mol
SMILES c1(C(Oc2ccc(CC#N)cc2)=O)c(C(F)(F)F)ccnc1Cl
SPLASH splash10-0a4i-8690000000-a38e6ea0a46c22fe4420
Source of Spectrum AD-0-2532-0
Synonyms Pyridine-3-carboxylic acid, 2-chloro-4-trifluoromethyl-, 4-cyanomethylphenyl ester 2-Chloro-4-(trifluoromethyl)-3-pyridinecarboxylic acid [4-(cyanomethyl)phenyl] ester [4-(cyanomethyl)phenyl] 2-chloro-4-(trifluoromethyl)pyridine-3-carboxylate [4-(cyanomethyl)phenyl] 2-chloranyl-4-(trifluoromethyl)pyridine-3-carboxylate
Wiley ID 1428357