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6-[3'-Oxopentyl]-benzo[a]pyrene
SpectraBase Compound ID 4in8Cjsu2KR
InChI InChI=1S/C25H20O/c1-2-18(26)12-15-21-19-8-3-4-9-20(19)22-13-10-16-6-5-7-17-11-14-23(21)25(22)24(16)17/h3-11,13-14H,2,12,15H2,1H3
InChIKey FRLDGQFDACINQN-UHFFFAOYSA-N
Mol Weight 336.43 g/mol
Molecular Formula C25H20O
Exact Mass 336.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HJE60Qs8QIT
Name 6-[3'-Oxopentyl]-benzo[a]pyrene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20O
InChI InChI=1S/C25H20O/c1-2-18(26)12-15-21-19-8-3-4-9-20(19)22-13-10-16-6-5-7-17-11-14-23(21)25(22)24(16)17/h3-11,13-14H,2,12,15H2,1H3
InChIKey FRLDGQFDACINQN-UHFFFAOYSA-N
Molecular Weight 336.434 g/mol
SMILES c12c3c(CCC(=O)CC)c4c(c2ccc2c1c(cc3)ccc2)cccc4
SPLASH splash10-014r-0096000000-e1c69f56379a9e9f7164
Source of Spectrum U1-2003-3170-13
Synonyms 1-Benzo[def]chrysen-6-yl-3-pentanone 1-(6-benzo[b]pyrenyl)-3-pentanone
Wiley ID 1523795