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QFYQWOWJHRTBIF-UHFFFAOYSA-N
SpectraBase Compound ID 4ztN8cDIQrc
InChI InChI=1S/C33H27Br3N2O2/c34-25-11-5-22(6-12-25)31(39)17-19-37-20-18-33(24-9-15-27(36)16-10-24)28(32(40)23-7-13-26(35)14-8-23)21-38(33)30-4-2-1-3-29(30)37/h1-16,28H,17-21H2
InChIKey QFYQWOWJHRTBIF-UHFFFAOYSA-N
Mol Weight 723.3 g/mol
Molecular Formula C33H27Br3N2O2
Exact Mass 719.962267 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIlSjB6xivL
Name 5-[(4'-Bromobenzoyl)ethyl]-2-(4'-bromobenzoyl)-2a-(4'-bromophenyl)-1,2,2a,3,4,5-hexahydroazeto[1,2-a]-[1.5]benzodiazepine
Alternate Name(s) 3-(2-(4-bromobenzoyl)-2a-(4-bromophenyl)-2,2a,3,4-tetrahydroazeto[1,2-a][1,5]benzodiazepin-5(1H)-yl)-1-(4-bromophenyl)-1-propanone
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Formula C33H27Br3N2O2
InChI InChI=1S/C33H27Br3N2O2/c34-25-11-5-22(6-12-25)31(39)17-19-37-20-18-33(24-9-15-27(36)16-10-24)28(32(40)23-7-13-26(35)14-8-23)21-38(33)30-4-2-1-3-29(30)37/h1-16,28H,17-21H2
InChIKey QFYQWOWJHRTBIF-UHFFFAOYSA-N
Molecular Weight 723.303 g/mol
SMILES C12(N(c3c(N(CC2)CCC(c2ccc(cc2)Br)=O)cccc3)CC1C(c1ccc(cc1)Br)=O)c1ccc(cc1)Br
SPLASH splash10-01x0-0740392400-a4347497ae60ff1402fd
Source of Spectrum K1-2000-1976-8
Wiley ID 750444