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3b,4a-Dihydrobenzo[1,2]pyreno[4,5-b]oxirene
SpectraBase Compound ID JXygSgkE4L1
InChI InChI=1S/C20H12O/c1-2-6-13-12(4-1)10-16-18-14(13)9-8-11-5-3-7-15(17(11)18)19-20(16)21-19/h1-10,19-20H
InChIKey XGZQLNASOQVQTD-UHFFFAOYSA-N
Mol Weight 268.31 g/mol
Molecular Formula C20H12O
Exact Mass 268.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID YpwOXyKgen
Name 3b,4a-Dihydrobenzo[1,2]pyreno[4,5-b]oxirene
CAS Registry Number 37574-47-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H12O
InChI InChI=1S/C20H12O/c1-2-6-13-12(4-1)10-16-18-14(13)9-8-11-5-3-7-15(17(11)18)19-20(16)21-19/h1-10,19-20H
InChIKey XGZQLNASOQVQTD-UHFFFAOYSA-N
Molecular Weight 268.315 g/mol
SMILES c1ccc2c(c1)cc1c3c2ccc2cccc(c32)C2C1O2
SPLASH splash10-014r-0090000000-6d871983bb5a175f88f2
Source of Spectrum D3-1980-998-32
Synonyms 4,5-Dihydro-4,5-epoxybenzpyrene 4,5-Dihydrobenzo(a)pyrene-4,5-epoxide Benz(a)pyrene 4,5-oxide Benzo(1,2)pyreno(4,5-b)oxirene, 3b,4a-dihydro- Benzo(a)pyrene 4,5-epoxide Benzo(a)pyrene 4,5-oxide BP 4,5-EPOXIDE BP 4,5-OXIDE CCRIS 798
Wiley ID 1272838