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9,10-dihydrobenzo[a]pyren-7(8H)-one
SpectraBase Compound ID BerGC9duyWE
InChI InChI=1S/C20H14O/c21-18-6-2-5-15-16-10-9-13-4-1-3-12-7-8-14(11-17(15)18)20(16)19(12)13/h1,3-4,7-11H,2,5-6H2
InChIKey AIGDHFJPKNZUOR-UHFFFAOYSA-N
Mol Weight 270.33 g/mol
Molecular Formula C20H14O
Exact Mass 270.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1VfkjIX2cc2
Name Benzo[a]pyren-7(8H)-one, 9,10-dihydro-
Alternate Name(s) 9,10-Dihydrobenzo[def]chrysen-7(8H)-one 7-Oxo-7,8,9,10-tetrahydrobenzo[a]pyrene 9,10-dihydro-8H-benzo[a]pyren-7-one 9,10-Dihydrobenzo(a)pyren-7(8H)-one EINECS 222-055-1 NSC 30830
CAS Registry Number 3331-46-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14O
InChI InChI=1S/C20H14O/c21-18-6-2-5-15-16-10-9-13-4-1-3-12-7-8-14(11-17(15)18)20(16)19(12)13/h1,3-4,7-11H,2,5-6H2
InChIKey AIGDHFJPKNZUOR-UHFFFAOYSA-N
Molecular Weight 270.331 g/mol
SMILES C1(=O)c2c(c3c4c5c(cccc5ccc4c2)cc3)CCC1
SPLASH splash10-0229-0290000000-c865d1869c40c25dc128
Source of Spectrum W5-0-0-0
Wiley ID 1274966