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[3,3'-BI-7H-BENZ[de]ANTHRACENE]-7,7'-DIONE
SpectraBase Compound ID 75KfT053Dm8
InChI InChI=1S/C34H18O2/c35-33-27-9-3-1-7-19(27)25-17-15-21(23-11-5-13-29(33)31(23)25)22-16-18-26-20-8-2-4-10-28(20)34(36)30-14-6-12-24(22)32(26)30/h1-18H
InChIKey ZSNLOGRWRVNZRH-UHFFFAOYSA-N
Mol Weight 458.5 g/mol
Molecular Formula C34H18O2
Exact Mass 458.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3UHg8T6h0rn
Name 13,13'-Dibenzanthronyl
Alternate Name(s) [3,3'-Bi-7H-benz[de]anthracene]-7,7'-dione 3-(7-ketobenzo[a]phenalen-3-yl)benzo[b]phenalen-7-one 3-(7-oxidanylidenebenzo[a]phenalen-3-yl)benzo[b]phenalen-7-one 3-(7-oxo-3-benzo[a]phenalenyl)-7-benzo[b]phenalenone 3-(7-oxobenzo[a]phenalen-3-yl)benzo[b]phenalen-7-one EINECS 204-166-7 NSC 82340
CAS Registry Number 116-96-1
Comments Edited after expert review for air contamination - Original record with SpectrumID 1390118 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H18O2
InChI InChI=1S/C34H18O2/c35-33-27-9-3-1-7-19(27)25-17-15-21(23-11-5-13-29(33)31(23)25)22-16-18-26-20-8-2-4-10-28(20)34(36)30-14-6-12-24(22)32(26)30/h1-18H
InChIKey ZSNLOGRWRVNZRH-UHFFFAOYSA-N
Molecular Weight 458.516 g/mol
SMILES C1(=O)c2c3c(ccc(c3ccc2)-c2c3c4c(-c5c(cccc5)C(c4ccc3)=O)cc2)-c2c1cccc2
SPLASH splash10-052p-8920400000-72cdb3d420d24bb1481f
Source of Spectrum W5-0-0-0
Wiley ID 1820887