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1-{2-[(2,8-dichloro-11-methyl-11,12-dihydrodibenzo[b,f][1,5]diazocin-5(6H)-yl)methyl]-4-methylphenyl}-1,4,5,6-tetrahydro-3-pyridinecarbaldehyde
SpectraBase Compound ID 8dnxBcgIibx
InChI InChI=1S/C29H29Cl2N3O/c1-20-5-8-28(33-11-3-4-21(15-33)19-35)22(12-20)17-34-18-24-14-25(30)6-9-27(24)32(2)16-23-13-26(31)7-10-29(23)34/h5-10,12-15,19H,3-4,11,16-18H2,1-2H3
InChIKey FPTBLXILTRBSCC-UHFFFAOYSA-N
Mol Weight 506.48 g/mol
Molecular Formula C29H29Cl2N3O
Exact Mass 505.168768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kz2erCU5zlh
Name 1-{2-[(2,8-dichloro-11-methyl-11,12-dihydrodibenzo[b,f][1,5]diazocin-5(6H)-yl)methyl]-4-methylphenyl}-1,4,5,6-tetrahydro-3-pyridinecarbaldehyde
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Formula C29H29Cl2N3O
InChI InChI=1S/C29H29Cl2N3O/c1-20-5-8-28(33-11-3-4-21(15-33)19-35)22(12-20)17-34-18-24-14-25(30)6-9-27(24)32(2)16-23-13-26(31)7-10-29(23)34/h5-10,12-15,19H,3-4,11,16-18H2,1-2H3
InChIKey FPTBLXILTRBSCC-UHFFFAOYSA-N
Molecular Weight 506.477 g/mol
SMILES c12N(Cc3c(N(Cc2cc(cc1)Cl)C)ccc(c3)Cl)Cc1c(N2C=C(C=O)CCC2)ccc(c1)C
SPLASH splash10-02u3-0290000000-97d2582e60d3d2c60f4d
Source of Spectrum KC-0-1261-8
Synonyms 2,8-Dichloro-11-methyl-5-[1-(3'-formyl-1',4',5',6'-tetrahydropyridinyl)-4-methylbenzyl]dibenzo[b,f][1,5]diazocine 2,8-Dichloro-11-methyl-5-[1-(3'-formyl-1',4',5',6'-tetrahydropyridinyl)-5-methylbenzyl]dibenzo[b,f][1,5]diazocine 2,8-Dichloro-11-methyl-5-[2-(3'-formyl-1',4',5',6'-tetrahydropyridinyl)-5-methylbenzyl]dibenzo[b,f][1,5]diazocine
Wiley ID 825014