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Benzo(a)pyrene

View entire compound with spectra: 10 NMR, 4 FTIR, 1 Raman, and 15 MS (GC)

Benzo(a)pyrene
SpectraBase Compound ID 9951iBIPQK8
InChI InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H
InChIKey FMMWHPNWAFZXNH-UHFFFAOYSA-N
Mol Weight 252.32 g/mol
Molecular Formula C20H12
Exact Mass 252.0939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BrybExCxyzf
Name Benzo(a)pyrene
Comments MONAID: JP001606
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H12
InChI InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H
InChIKey FMMWHPNWAFZXNH-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 252.316 g/mol
SMILES c1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2
SPLASH splash10-0udi-0590000000-fc96067ab3aa107e9b80
Source of Spectrum SRH-2022-1606-0
Wiley ID 1824023