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(5S,6aR)-9H-8,8-Dimethyl-5-phenyl-4,5,6,6a,7,8-hexahydro-1,2-diazaphenalen-3-one

View entire compound with spectra: 1 MS (GC)

(5S,6aR)-9H-8,8-Dimethyl-5-phenyl-4,5,6,6a,7,8-hexahydro-1,2-diazaphenalen-3-one
SpectraBase Compound ID GqYYKzxUbHz
InChI InChI=1S/C19H22N2O/c1-19(2)10-14-8-13(12-6-4-3-5-7-12)9-15-17(14)16(11-19)20-21-18(15)22/h3-7,13-14H,8-11H2,1-2H3,(H,21,22)/t13-,14+/m0/s1
InChIKey ZMBJAQLSANMOKL-UONOGXRCSA-N
Mol Weight 294.4 g/mol
Molecular Formula C19H22N2O
Exact Mass 294.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KtJJrwssUee
Name (5S,6aR)-9H-8,8-Dimethyl-5-phenyl-4,5,6,6a,7,8-hexahydro-1,2-diazaphenalen-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22N2O
InChI InChI=1S/C19H22N2O/c1-19(2)10-14-8-13(12-6-4-3-5-7-12)9-15-17(14)16(11-19)20-21-18(15)22/h3-7,13-14H,8-11H2,1-2H3,(H,21,22)/t13-,14+/m0/s1
InChIKey ZMBJAQLSANMOKL-UONOGXRCSA-N
Molecular Weight 294.398 g/mol
SMILES N1C(C2=C3C(=N1)CC(C[C@]3(C[C@@](C2)(c1ccccc1)[H])[H])(C)C)=O
SPLASH splash10-0006-2950000000-ba134ec811e28c075f0d
Source of Spectrum H1-51-1524-6
Synonyms (5S,6aR)-8,8-dimethyl-5-phenyl-2,4,5,6,6a,7,8,9-octahydro-3H-benzo[de]cinnolin-3-one 9H-8,8-Dimethyl-5-phenyl-4,5,6,6a,7,8-hexahydro-1,2-diazaphenalen-3-one
Wiley ID 817345