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4-(6-benzo[b]pyrenyl)-2-butanone

View entire compound with spectra: 1 MS (GC)

4-(6-benzo[b]pyrenyl)-2-butanone
SpectraBase Compound ID Cfm9PuPfGHa
InChI InChI=1S/C24H18O/c1-15(25)9-12-20-18-7-2-3-8-19(18)21-13-10-16-5-4-6-17-11-14-22(20)24(21)23(16)17/h2-8,10-11,13-14H,9,12H2,1H3
InChIKey XWYDBDSIIHJEHX-UHFFFAOYSA-N
Mol Weight 322.41 g/mol
Molecular Formula C24H18O
Exact Mass 322.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYw9wRwV87o
Name 4-(6-benzo[b]pyrenyl)-2-butanone
Alternate Name(s) 4-Benzo[b]pyren-6-ylbutan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18O
InChI InChI=1S/C24H18O/c1-15(25)9-12-20-18-7-2-3-8-19(18)21-13-10-16-5-4-6-17-11-14-22(20)24(21)23(16)17/h2-8,10-11,13-14H,9,12H2,1H3
InChIKey XWYDBDSIIHJEHX-UHFFFAOYSA-N
Molecular Weight 322.407 g/mol
SMILES c12c3c(CCC(=O)C)c4c(c2ccc2c1c(cc3)ccc2)cccc4
SPLASH splash10-014i-0091000000-3da65190f4eb73f3df6e
Source of Spectrum U1-2003-3169-4
Wiley ID 1523800