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7-(2,2-Dimethyl-1-oxopropyl)-7,8,9,10-tetrahydrobenzo[a]pyrene
SpectraBase Compound ID EtCdbwsSvje
InChI InChI=1S/C25H24O2/c1-24(2,3)23(26)25(27)13-5-8-18-19-12-11-16-7-4-6-15-9-10-17(14-20(18)25)22(19)21(15)16/h4,6-7,9-12,14,27H,5,8,13H2,1-3H3
InChIKey QYTXSULLTGEDFH-UHFFFAOYSA-N
Mol Weight 356.47 g/mol
Molecular Formula C25H24O2
Exact Mass 356.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3S13y7EzYz9
Name 7-(2,2-Dimethyl-1-oxopropyl)-7,8,9,10-tetrahydrobenzo[a]pyrene
Alternate Name(s) 7-Hydroxy-7-(2,2-Dimethyl-1-oxopropyl)-7,8,9,10-tetrahydrobenzo[a]pyrene 1-(7-hydroxy-9,10-dihydro-8H-benzo[a]pyren-7-yl)-2,2-dimethyl-1-propanone 1-(7-hydroxy-9,10-dihydro-8H-benzo[a]pyren-7-yl)-2,2-dimethylpropan-1-one 2,2-Dimethyl-1-(7-oxidanyl-9,10-dihydro-8H-benzo[a]pyren-7-yl)propan-1-one
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Formula C25H24O2
InChI InChI=1S/C25H24O2/c1-24(2,3)23(26)25(27)13-5-8-18-19-12-11-16-7-4-6-15-9-10-17(14-20(18)25)22(19)21(15)16/h4,6-7,9-12,14,27H,5,8,13H2,1-3H3
InChIKey QYTXSULLTGEDFH-UHFFFAOYSA-N
Molecular Weight 356.465 g/mol
SMILES OC1(c2c(c3ccc4c5c3c(c2)ccc5ccc4)CCC1)C(C(C)(C)C)=O
SPLASH splash10-0fk9-1090000000-4f270cb896502ebf2a37
Source of Spectrum J-60-4938-2
Wiley ID 1346232