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2,2-Dimethyl-5-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
SpectraBase Compound ID JvKrUfUOnev
InChI InChI=1S/C26H22F3NO/c1-25(2)13-19-22-18-9-4-3-6-15(18)10-11-20(22)30-24(23(19)21(31)14-25)16-7-5-8-17(12-16)26(27,28)29/h3-12,24,30H,13-14H2,1-2H3
InChIKey AMWSUGFUPWMVGV-UHFFFAOYSA-N
Mol Weight 421.46 g/mol
Molecular Formula C26H22F3NO
Exact Mass 421.165349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CyGFMWZoyPM
Name 2,2-Dimethyl-5-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Alternate Name(s) 2,2-Dimethyl-5-[3-(trifluoromethyl)phenyl]-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Benzo[a]phenanthridin-4(3H)-one, 1,2,5,6-tetrahydro-2,2-dimethyl-5-(3-trifluoromethylphenyl)-
CAS Registry Number 311795-36-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22F3NO
InChI InChI=1S/C26H22F3NO/c1-25(2)13-19-22-18-9-4-3-6-15(18)10-11-20(22)30-24(23(19)21(31)14-25)16-7-5-8-17(12-16)26(27,28)29/h3-12,24,30H,13-14H2,1-2H3
InChIKey AMWSUGFUPWMVGV-UHFFFAOYSA-N
Molecular Weight 421.463 g/mol
SMILES N1c2ccc3c(c2C2=C(C1c1cc(C(F)(F)F)ccc1)C(CC(C2)(C)C)=O)cccc3
SPLASH splash10-004i-2490000000-199db6e805fed849f53b
Source of Spectrum AD-0-2532-0
Wiley ID 1426609