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6-[4'-Oxo-1'-pentenyl]-benzo[a]pyrene
SpectraBase Compound ID InsFpOK2c5y
InChI InChI=1S/C25H18O/c1-16(26)6-4-11-21-19-9-2-3-10-20(19)22-14-12-17-7-5-8-18-13-15-23(21)25(22)24(17)18/h2-5,7-15H,6H2,1H3/b11-4+
InChIKey PVCCGSQSWUYLOA-NYYWCZLTSA-N
Mol Weight 334.42 g/mol
Molecular Formula C25H18O
Exact Mass 334.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQ4CZyNzWQu
Name 6-[4'-Oxo-1'-pentenyl]-benzo[a]pyrene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18O
InChI InChI=1S/C25H18O/c1-16(26)6-4-11-21-19-9-2-3-10-20(19)22-14-12-17-7-5-8-18-13-15-23(21)25(22)24(17)18/h2-5,7-15H,6H2,1H3/b11-4+
InChIKey PVCCGSQSWUYLOA-NYYWCZLTSA-N
Molecular Weight 334.418 g/mol
SMILES c12c3c(\C=C\CC(=O)C)c4c(c2ccc2c1c(cc3)ccc2)cccc4
SPLASH splash10-0002-4941000000-09911ebac2ba739e4f19
Source of Spectrum U1-2003-3170-14
Synonyms (4E)-5-benzo[def]chrysen-6-yl-4-penten-2-one (E)-5-(6-benzo[b]pyrenyl)-4-penten-2-one
Wiley ID 1523794