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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)-
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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJKnXRFvSua
Name 5H-Dibenzo[f,j][1,5]diazacycloundecine-6,8(7H,9H)-dione, 14,15-dihydro-14,15-dihydroxy-14,15-diphenyl-7-(phenylmethylene)-
Alternate Name(s) 7-Benzylidene-14,15-dihydroxy-14,15-diphenyl-14,15-dihydro-5H-dibenzo[f,j][1,5]diazacycloundecine-6,8(7H,9H)-dione
CAS Registry Number 87285-92-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 N1c2c(C(c3ccccc3)(O)C(c3c(NC(C(C1=O)=Cc1ccccc1)=O)cccc3)(c1ccccc1)O)cccc2
SPLASH splash10-0002-0090100000-a90975c9805595dc9e6b
Source of Spectrum B-36-1139-0
Wiley ID 1406020