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1H-2-Benzoxocin-1-one, 3,4,6-triphenyl-
SpectraBase Compound ID 2M0LOwHDcqc
InChI InChI=1S/C29H20O2/c30-29-25-19-11-10-18-24(25)26(21-12-4-1-5-13-21)20-27(22-14-6-2-7-15-22)28(31-29)23-16-8-3-9-17-23/h1-20H/b26-20-,28-27+
InChIKey CDMSODPKDVXAQJ-WAOSGBCZSA-N
Mol Weight 400.48 g/mol
Molecular Formula C29H20O2
Exact Mass 400.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 30ZQlovnolo
Name 1H-2-Benzoxocin-1-one, 3,4,6-triphenyl-
CAS Registry Number 106976-74-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H20O2
InChI InChI=1S/C29H20O2/c30-29-25-19-11-10-18-24(25)26(21-12-4-1-5-13-21)20-27(22-14-6-2-7-15-22)28(31-29)23-16-8-3-9-17-23/h1-20H/b26-20-,28-27+
InChIKey CDMSODPKDVXAQJ-WAOSGBCZSA-N
Molecular Weight 400.477 g/mol
SMILES c1(\C2=C\C(=C\(OC(c3c2cccc3)=O)c2ccccc2)c2ccccc2)ccccc1
SPLASH splash10-0a4i-0900100000-2f707290580b6c679ea7
Source of Spectrum J-52-1088-4
Synonyms 3,4,6-triphenyl-1H-2-benzoxocin-1-one 3-Oxa-4,5,7-triphenyl-bicyclo[6.4.0]dodecan-4,6,9,11,8(1)pentaen-2-one
Wiley ID 1369841