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1H-2-Benzoxocin-1-one, 4,5-dibenzoyl-3,6-diphenyl-
SpectraBase Compound ID HBqZhLWVc9H
InChI InChI=1S/C37H24O4/c38-34(26-17-7-2-8-18-26)32-31(25-15-5-1-6-16-25)29-23-13-14-24-30(29)37(40)41-36(28-21-11-4-12-22-28)33(32)35(39)27-19-9-3-10-20-27/h1-24H/b32-31+,36-33+
InChIKey CRHZQEKGBLQGGI-BUZYKABVSA-N
Mol Weight 532.6 g/mol
Molecular Formula C37H24O4
Exact Mass 532.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CymvweEfW24
Name 1H-2-Benzoxocin-1-one, 4,5-dibenzoyl-3,6-diphenyl-
CAS Registry Number 106976-65-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H24O4
InChI InChI=1S/C37H24O4/c38-34(26-17-7-2-8-18-26)32-31(25-15-5-1-6-16-25)29-23-13-14-24-30(29)37(40)41-36(28-21-11-4-12-22-28)33(32)35(39)27-19-9-3-10-20-27/h1-24H/b32-31+,36-33+
InChIKey CRHZQEKGBLQGGI-BUZYKABVSA-N
Molecular Weight 532.595 g/mol
SMILES c12\C(=C/(\C(=C\(OC(c1cccc2)=O)c1ccccc1)C(=O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1
SPLASH splash10-0a4i-0900000000-9430d772ba4bcccd593c
Source of Spectrum J-52-1087-4
Synonyms 3-Oxa-4,7-diphenyl-5,6-diphenylcarbonyl-bicyclo[6.4.0]dodecan-4,6,9,11,8(1)pentaen-2-one 4,5-Dibenzoyl-3,6-diphenyl-1H-2-benzoxocin-1-one
Wiley ID 1403675