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(3aR*,10aS*)-4a,10-Dimethyl-3-imino-2-phenyl-3,3a,4,9,10,10a-hexahydropyrrolo[3,4]b][1]benzazepin-1(2H)-one

View entire compound with spectra: 1 MS (GC)

(3aR*,10aS*)-4a,10-Dimethyl-3-imino-2-phenyl-3,3a,4,9,10,10a-hexahydropyrrolo[3,4]b][1]benzazepin-1(2H)-one
SpectraBase Compound ID 5A97EwAs6tw
InChI InChI=1S/C20H21N3O/c1-13-12-14-8-6-7-11-20(14,2)22-17-16(13)19(24)23(18(17)21)15-9-4-3-5-10-15/h3-13,16-17,21-22H,1-2H3/t13?,16-,17+,20?/m0/s1
InChIKey FDIBGRURTYCMKP-BFASVIAVSA-N
Mol Weight 319.41 g/mol
Molecular Formula C20H21N3O
Exact Mass 319.168462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1B7FIChcA5o
Name (3aR*,10aS*)-4a,10-Dimethyl-3-imino-2-phenyl-3,3a,4,9,10,10a-hexahydropyrrolo[3,4]b][1]benzazepin-1(2H)-one
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Formula C20H21N3O
InChI InChI=1S/C20H21N3O/c1-13-12-14-8-6-7-11-20(14,2)22-17-16(13)19(24)23(18(17)21)15-9-4-3-5-10-15/h3-13,16-17,21-22H,1-2H3/t13?,16-,17+,20?/m0/s1
InChIKey FDIBGRURTYCMKP-BFASVIAVSA-N
Molecular Weight 319.408 g/mol
SMILES N1C2(C(=CC([C@@]3(C(N(C([C@]13[H])=N)c1ccccc1)=O)[H])C)C=CC=C2)C
SPLASH splash10-000l-0940000000-ce2572bb182748b4cabb
Source of Spectrum F-49-897-11
Synonyms (3aR,10aS)-3-imino-4a,10-dimethyl-2-phenyl-3,3a,4,4a,10,10a-hexahydropyrrolo[3,4-b][1]benzazepin-1(2H)-one
Wiley ID 1319506