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5-(6-benzo[b]pyrenyl)-2-pentanone
SpectraBase Compound ID r0pPUQ1iVD
InChI InChI=1S/C25H20O/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/h2-3,5,7-10,12-15H,4,6,11H2,1H3
InChIKey HBFKXVDQKYREHK-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 DiVtEAl8ilw
Name 5-(6-benzo[b]pyrenyl)-2-pentanone
Alternate Name(s) 5-Benzo[b]pyren-6-ylpentan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20O
InChI InChI=1S/C25H20O/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/h2-3,5,7-10,12-15H,4,6,11H2,1H3
InChIKey HBFKXVDQKYREHK-UHFFFAOYSA-N
Molecular Weight 336.434 g/mol
SMILES c12c3c(CCCC(=O)C)c4c(c2ccc2c1c(cc3)ccc2)cccc4
SPLASH splash10-014r-0093000000-1ba5321e651c94173f59
Source of Spectrum U1-2003-3169-4
Wiley ID 1523799