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5H-Dibenzo[f,j][1,5]diazacycloundecine-6,8(7H,9H)-dione, 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, 14,15-dihydro-14,15-dihydroxy-14,15-diphenyl-7-(phenylmethylene)-
SpectraBase Compound ID JXRI5MhnJNK
InChI InChI=1S/C36H28N2O4/c39-33-28(24-25-14-4-1-5-15-25)34(40)38-32-23-13-11-21-30(32)36(42,27-18-8-3-9-19-27)35(41,26-16-6-2-7-17-26)29-20-10-12-22-31(29)37-33/h1-24,41-42H,(H,37,39)(H,38,40)
InChIKey RHJIXMIQKWJSFS-UHFFFAOYSA-N
Mol Weight 552.6 g/mol
Molecular Formula C36H28N2O4
Exact Mass 552.204907 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JS5lSCb5nAF
Name 5H-Dibenzo[F,J][1,5]diazacycloundecine-6,8(7H,9H)-dione, 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 552.204907386 u
Formula C36H28N2O4
InChI InChI=1S/C36H28N2O4/c39-33-28(24-25-14-4-1-5-15-25)34(40)38-32-23-13-11-21-30(32)36(42,27-18-8-3-9-19-27)35(41,26-16-6-2-7-17-26)29-20-10-12-22-31(29)37-33/h1-24,41-42H,(H,37,39)(H,38,40)
InChIKey RHJIXMIQKWJSFS-UHFFFAOYSA-N
Molecular Weight 552.630 g/mol
SMILES C1(C(NC=2C(C(C=3C=CC=CC3)(O)C(C=3C(NC1=O)=CC=CC3)(C1=CC=CC=C1)O)=CC=CC2)=O)=CC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967772