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(3R*,4aR*)-8-Trifluoromethyl-3-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine-5,5-dicarbonitrile
SpectraBase Compound ID LBtvgI31rDI
InChI InChI=1S/C22H18F3N3/c23-22(24,25)18-6-7-19-17(10-18)12-21(13-26,14-27)20-11-16(8-9-28(19)20)15-4-2-1-3-5-15/h1-7,10,16,20H,8-9,11-12H2/t16-,20-/m0/s1
InChIKey PFTCDHLCKLVKEL-JXFKEZNVSA-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 2rgmV9WXlgr
Name (3R*,4aR*)-8-Trifluoromethyl-3-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine-5,5-dicarbonitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18F3N3
InChI InChI=1S/C22H18F3N3/c23-22(24,25)18-6-7-19-17(10-18)12-21(13-26,14-27)20-11-16(8-9-28(19)20)15-4-2-1-3-5-15/h1-7,10,16,20H,8-9,11-12H2/t16-,20-/m0/s1
InChIKey PFTCDHLCKLVKEL-JXFKEZNVSA-N
Molecular Weight 381.402 g/mol
SMILES [C@@]12(N(c3c(CC2(C#N)C#N)cc(cc3)C(F)(F)F)CC[C@@](C1)(c1ccccc1)[H])[H]
SPLASH splash10-001i-0009000000-8f7d208f7db16f9fa54b
Source of Spectrum O1-45-753-13c
Wiley ID 1669022