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2,8-Dichloro-11-methyl-5-[2-(3'-formyl-4',5'-dihydropyrrolyl)-5-methylbenzyl]dibenzo[b,f][1,5]diazocine
SpectraBase Compound ID DswoxzYBmt8
InChI InChI=1S/C28H27Cl2N3O/c1-19-3-6-27(32-10-9-20(14-32)18-34)21(11-19)16-33-17-23-13-24(29)4-7-26(23)31(2)15-22-12-25(30)5-8-28(22)33/h3-8,11-14,18H,9-10,15-17H2,1-2H3
InChIKey SBBSOFFXNRMQKY-UHFFFAOYSA-N
Mol Weight 492.45 g/mol
Molecular Formula C28H27Cl2N3O
Exact Mass 491.153118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6bIpYe2Sn6h
Name 2,8-Dichloro-11-methyl-5-[2-(3'-formyl-4',5'-dihydropyrrolyl)-5-methylbenzyl]dibenzo[b,f][1,5]diazocine
Alternate Name(s) 1-{2-[(2,8-dichloro-11-methyl-11,12-dihydrodibenzo[b,f][1,5]diazocin-5(6H)-yl)methyl]-4-methylphenyl}-4,5-dihydro-1H-pyrrole-3-carbaldehyde 2,8-Dichloro-11-methyl-5-[1-(3'-formyl-4',5'-dihydropyrrolyl)-4-methylbenzyl]dibenzo[b,f][1,5]diazocine 2,8-Dichloro-11-methyl-5-[1-(3'-formyl-4',5'-dihydropyrrolyl)-5-methylbenzyl]dibenzo[b,f][1,5]diazocine
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Formula C28H27Cl2N3O
InChI InChI=1S/C28H27Cl2N3O/c1-19-3-6-27(32-10-9-20(14-32)18-34)21(11-19)16-33-17-23-13-24(29)4-7-26(23)31(2)15-22-12-25(30)5-8-28(22)33/h3-8,11-14,18H,9-10,15-17H2,1-2H3
InChIKey SBBSOFFXNRMQKY-UHFFFAOYSA-N
Molecular Weight 492.450 g/mol
SMILES c12N(Cc3c(N(Cc2cc(cc1)Cl)C)ccc(c3)Cl)Cc1c(N2C=C(C=O)CC2)ccc(c1)C
SPLASH splash10-006x-0590200000-528b9e7e6de67cdcc7f4
Source of Spectrum KC-0-1261-8
Wiley ID 825015