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2,8-Dichloro-11-methyl-5-[1-(3'-formyl-2',3'-dehydromorpholinyl)-4-methylbenzyl]dibenzo[b,f][1,5]diazocine
SpectraBase Compound ID DsH5BRLf4RU
InChI InChI=1S/C28H27Cl2N3O2/c1-19-3-6-27(32-9-10-35-25(17-32)18-34)20(11-19)15-33-16-22-13-23(29)4-7-26(22)31(2)14-21-12-24(30)5-8-28(21)33/h3-8,11-13,17-18H,9-10,14-16H2,1-2H3
InChIKey JIFLVIBIVICELE-UHFFFAOYSA-N
Mol Weight 508.45 g/mol
Molecular Formula C28H27Cl2N3O2
Exact Mass 507.148033 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDVmpTwiIoW
Name 2,8-Dichloro-11-methyl-5-[1-(3'-formyl-2',3'-dehydromorpholinyl)-4-methylbenzyl]dibenzo[b,f][1,5]diazocine
Alternate Name(s) 4-[2-[(2,8-dichloro-5-methyl-6,12-dihydrobenzo[c][1,5]benzodiazocin-11-yl)methyl]-4-methylphenyl]-2,3-dihydro-1,4-oxazine-6-carboxaldehyde 4-[2-[(2,8-dichloro-5-methyl-6,12-dihydrobenzo[c][1,5]benzodiazocin-11-yl)methyl]-4-methylphenyl]-2,3-dihydro-1,4-oxazine-6-carbaldehyde 4-[2-[[2,8-bis(chloranyl)-5-methyl-6,12-dihydrobenzo[c][1,5]benzodiazocin-11-yl]methyl]-4-methyl-phenyl]-2,3-dihydro-1,4-oxazine-6-carbaldehyde
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Formula C28H27Cl2N3O2
InChI InChI=1S/C28H27Cl2N3O2/c1-19-3-6-27(32-9-10-35-25(17-32)18-34)20(11-19)15-33-16-22-13-23(29)4-7-26(22)31(2)14-21-12-24(30)5-8-28(21)33/h3-8,11-13,17-18H,9-10,14-16H2,1-2H3
InChIKey JIFLVIBIVICELE-UHFFFAOYSA-N
Molecular Weight 508.449 g/mol
SMILES c12N(Cc3c(N(Cc2cc(cc1)Cl)C)ccc(c3)Cl)Cc1c(N2C=C(C=O)OCC2)ccc(c1)C
SPLASH splash10-0a4l-0060090000-8c86ede678752e1627b4
Source of Spectrum KC-0-1261-8
Wiley ID 825012