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5H-Dibenzo[f,j][1,5]diazacycloundecine-6,8(7H,9H)-dione, 2,12-dichloro-14,15-dihydro-14,15-dihydroxy-14,15-diphenyl-7-(phenylmethylene)-
SpectraBase Compound ID cBY7UExURg
InChI InChI=1S/C36H26Cl2N2O4/c37-26-16-18-31-29(21-26)35(43,24-12-6-2-7-13-24)36(44,25-14-8-3-9-15-25)30-22-27(38)17-19-32(30)40-34(42)28(33(41)39-31)20-23-10-4-1-5-11-23/h1-22,43-44H,(H,39,41)(H,40,42)
InChIKey OILYPMXZZGIRIX-UHFFFAOYSA-N
Mol Weight 621.5 g/mol
Molecular Formula C36H26Cl2N2O4
Exact Mass 620.126963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8hyGYZE5QQG
Name 5H-Dibenzo[f,j][1,5]diazacycloundecine-6,8(7H,9H)-dione, 2,12-dichloro-14,15-dihydro-14,15-dihydroxy-14,15-diphenyl-7-(phenylmethylene)-
Alternate Name(s) 7-benzylidene-2,12-dichloro-14,15-dihydroxy-14,15-diphenyl-14,15-dihydro-5H-dibenzo[f,j][1,5]diazacycloundecine-6,8(7H,9H)-dione 7-Benzylidene-2,12-dichloro-14,15-dihydroxy-14,15-diphenyl-14,15-dihydro-5H-dibenzo[f,j][1,5]diazacycloundecyne-6,8(7H,9H)-dione-hydrate
CAS Registry Number 87285-93-6
Comments Less than 3 mono-isotopic peaks
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Formula C36H26Cl2N2O4
InChI InChI=1S/C36H26Cl2N2O4/c37-26-16-18-31-29(21-26)35(43,24-12-6-2-7-13-24)36(44,25-14-8-3-9-15-25)30-22-27(38)17-19-32(30)40-34(42)28(33(41)39-31)20-23-10-4-1-5-11-23/h1-22,43-44H,(H,39,41)(H,40,42)
InChIKey OILYPMXZZGIRIX-UHFFFAOYSA-N
Molecular Weight 621.520 g/mol
SMILES N1c2c(C(C(c3c(NC(C(=Cc4ccccc4)C1=O)=O)ccc(c3)Cl)(c1ccccc1)O)(c1ccccc1)O)cc(cc2)Cl
SPLASH splash10-001i-0090030000-787ab361e3bca373053b
Source of Spectrum B-36-1140-0
Wiley ID 1411553