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2-[2-(4-Phenylpiperidino)-5-trifluoromethylbenzylidene]malononitrile
SpectraBase Compound ID AVIW1L5r5t2
InChI InChI=1S/C22H18F3N3/c23-22(24,25)21-7-6-20(13-19(21)12-16(14-26)15-27)28-10-8-18(9-11-28)17-4-2-1-3-5-17/h1-7,12-13,18H,8-11H2
InChIKey OPUCESYRORPQDO-UHFFFAOYSA-N
Mol Weight 381.4 g/mol
Molecular Formula C22H18F3N3
Exact Mass 381.145282 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Tg8C7vleGW
Name 2-[2-(4-Phenylpiperidino)-5-trifluoromethylbenzylidene]malononitrile
Comments Less than 3 mono-isotopic peaks
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Formula C22H18F3N3
InChI InChI=1S/C22H18F3N3/c23-22(24,25)21-7-6-20(13-19(21)12-16(14-26)15-27)28-10-8-18(9-11-28)17-4-2-1-3-5-17/h1-7,12-13,18H,8-11H2
InChIKey OPUCESYRORPQDO-UHFFFAOYSA-N
Molecular Weight 381.402 g/mol
SMILES c1(c(C(F)(F)F)ccc(N2CCC(CC2)c2ccccc2)c1)C=C(C#N)C#N
SPLASH splash10-001i-0009000000-8f7d208f7db16f9fa54b
Source of Spectrum O1-45-751-11c
Wiley ID 1669028