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7,10-Epoxybenzo[a]pyrene, 7,10-dihydro-
SpectraBase Compound ID 30hBF82eFhN
InChI InChI=1S/C20H12O/c1-2-11-4-5-13-10-15-16-8-9-17(21-16)20(15)14-7-6-12(3-1)18(11)19(13)14/h1-10,16-17H
InChIKey RAXHXFRXAVCZNC-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 FlFzh04KnDx
Name 7,10-Epoxybenzo[a]pyrene, 7,10-dihydro-
Alternate Name(s) 1,4-Dihydro-1,4-epoxybenzo[a]pyrene 21-oxahexacyclo[10.6.2.1(3,6).0(2,7).0(9,19).0(16,20)]henicosa-1,4,7,9,11,13,15,17,19-nonaene
CAS Registry Number 118522-09-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H12O
InChI InChI=1S/C20H12O/c1-2-11-4-5-13-10-15-16-8-9-17(21-16)20(15)14-7-6-12(3-1)18(11)19(13)14/h1-10,16-17H
InChIKey RAXHXFRXAVCZNC-UHFFFAOYSA-N
Molecular Weight 268.315 g/mol
SMILES c12c(c3ccc4c5c3c(c2)ccc5ccc4)C2OC1C=C2
SPLASH splash10-00ku-0090000000-8cf191f640bce1a3caea
Source of Spectrum B-41-244-17
Wiley ID 1272840