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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)-

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F4QTa5sw46p
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)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 620.126962721 u
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 C1(C(C=2C(NC(=O)C(C(NC=3C1=CC(=CC3)Cl)=O)=CC=1C=CC=CC1)=CC=C(C2)Cl)(C=1C=CC=CC1)O)(C1=CC=CC=C1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.847477