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(13R*,14S*)-5-(p-Toluenesulfonyl)-5,6,13,14-tetrahydro-12(11H)-benzo[c]phenanthridinone

View entire compound with spectra: 1 MS (GC)

(13R*,14S*)-5-(p-Toluenesulfonyl)-5,6,13,14-tetrahydro-12(11H)-benzo[c]phenanthridinone
SpectraBase Compound ID 4oemYtrlQbz
InChI InChI=1S/C24H21NO3S/c1-16-10-12-18(13-11-16)29(27,28)25-15-17-6-2-3-7-19(17)22-14-23(26)20-8-4-5-9-21(20)24(22)25/h2-13,22,24H,14-15H2,1H3/t22-,24-/m1/s1
InChIKey UPHCVRNIMDCDFW-ISKFKSNPSA-N
Mol Weight 403.5 g/mol
Molecular Formula C24H21NO3S
Exact Mass 403.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7WaT6PadN3Y
Name (13R*,14S*)-5-(p-Toluenesulfonyl)-5,6,13,14-tetrahydro-12(11H)-benzo[c]phenanthridinone
Alternate Name(s) (4bS,10bR)-5-(p-tolylsulfonyl)-4b,6,10b,11-tetrahydrobenzo[c]phenanthridin-12-one (4bS,10bR)-5-(4-methylphenyl)sulfonyl-4b,6,10b,11-tetrahydrobenzo[c]phenanthridin-12-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21NO3S
InChI InChI=1S/C24H21NO3S/c1-16-10-12-18(13-11-16)29(27,28)25-15-17-6-2-3-7-19(17)22-14-23(26)20-8-4-5-9-21(20)24(22)25/h2-13,22,24H,14-15H2,1H3/t22-,24-/m1/s1
InChIKey UPHCVRNIMDCDFW-ISKFKSNPSA-N
Molecular Weight 403.496 g/mol
SMILES [C@@]12(N(S(c3ccc(cc3)C)(=O)=O)Cc3c([C@]1(CC(c1c2cccc1)=O)[H])cccc3)[H]
SPLASH splash10-001j-6190000000-72156a9eeeb2c9acfd6c
Source of Spectrum F-50-10979-8
Wiley ID 789297