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3-Phenyl-8-trifluoromethyl-2,3,4,4a,5,6-hexahydro-1H-spiro-[benzo[c]quinolizine-5,2'-cyclohexane]-1',3'-dione
SpectraBase Compound ID 5rJOp6lmb2e
InChI InChI=1S/C25H24F3NO2/c26-25(27,28)19-9-10-20-18(13-19)15-24(22(30)7-4-8-23(24)31)21-14-17(11-12-29(20)21)16-5-2-1-3-6-16/h1-3,5-6,9-10,13,17,21H,4,7-8,11-12,14-15H2
InChIKey RRYJEBVHIBXFON-UHFFFAOYSA-N
Mol Weight 427.47 g/mol
Molecular Formula C25H24F3NO2
Exact Mass 427.175914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KlrUHUlYtur
Name 3-Phenyl-8-trifluoromethyl-2,3,4,4a,5,6-hexahydro-1H-spiro-[benzo[c]quinolizine-5,2'-cyclohexane]-1',3'-dione
Alternate Name(s) 3-phenyl-8-(trifluoromethyl)spiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,2'-cyclohexane]-1',3'-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24F3NO2
InChI InChI=1S/C25H24F3NO2/c26-25(27,28)19-9-10-20-18(13-19)15-24(22(30)7-4-8-23(24)31)21-14-17(11-12-29(20)21)16-5-2-1-3-6-16/h1-3,5-6,9-10,13,17,21H,4,7-8,11-12,14-15H2
InChIKey RRYJEBVHIBXFON-UHFFFAOYSA-N
Molecular Weight 427.467 g/mol
SMILES C12(C3N(CCC(C3)c3ccccc3)c3c(C2)cc(C(F)(F)F)cc3)C(=O)CCCC1=O
SPLASH splash10-004i-0000900000-901f28e2baae7f364856
Source of Spectrum O1-45-747-6g
Wiley ID 1668934