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2,8-Dichloro-11-methyl-5-[2-(3'-formylazepinyl)-5-methylbenzyl]dibenzo[b,f][1,5]diazocine
SpectraBase Compound ID 88gnl4VUN3o
InChI InChI=1S/C30H31Cl2N3O/c1-21-6-9-29(34-12-4-3-5-22(16-34)20-36)23(13-21)18-35-19-25-15-26(31)7-10-28(25)33(2)17-24-14-27(32)8-11-30(24)35/h6-11,13-16,20H,3-5,12,17-19H2,1-2H3
InChIKey SVDSQKWAAIJMFX-UHFFFAOYSA-N
Mol Weight 520.5 g/mol
Molecular Formula C30H31Cl2N3O
Exact Mass 519.184418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 25UWqAJQrw
Name 2,8-Dichloro-11-methyl-5-[2-(3'-formylazepinyl)-5-methylbenzyl]dibenzo[b,f][1,5]diazocine
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Formula C30H31Cl2N3O
InChI InChI=1S/C30H31Cl2N3O/c1-21-6-9-29(34-12-4-3-5-22(16-34)20-36)23(13-21)18-35-19-25-15-26(31)7-10-28(25)33(2)17-24-14-27(32)8-11-30(24)35/h6-11,13-16,20H,3-5,12,17-19H2,1-2H3
InChIKey SVDSQKWAAIJMFX-UHFFFAOYSA-N
Molecular Weight 520.504 g/mol
SMILES c12N(Cc3c(N(Cc2cc(cc1)Cl)C)ccc(c3)Cl)Cc1c(N2C=C(C=O)CCCC2)ccc(c1)C
SPLASH splash10-002f-0090000000-7334d83f09fd89ade4ad
Source of Spectrum KC-0-1261-8
Synonyms 1-{2-[(2,8-dichloro-11-methyl-11,12-dihydrodibenzo[b,f][1,5]diazocin-5(6H)-yl)methyl]-4-methylphenyl}-4,5,6,7-tetrahydro-1H-azepine-3-carbaldehyde 2,8-Dichloro-11-methyl-5-[1-(3'-formylazepinyl)-4-methylbenzyl]dibenzo[b,f][1,5]diazocine 2,8-Dichloro-11-methyl-5-[1-(3'-formylazepinyl)-5-methylbenzyl]dibenzo[b,f][1,5]diazocine
Wiley ID 825013