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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 HYXN4AE0dau
Name Benzo[a]pyrene
Alternate Name(s) 1,2-Benzpyrene 3,4-Benzo(a)pyrene 3,4-Benzopirene 3,4-Benzopyrene 3,4-Benzopyrene (carcinogen) 3,4-Benzpyren 3,4-Benzpyrene 3,4-Benzypyrene 3,4-Benz[a]pyrene 3,4-BP 4,5-Benzpyrene 6,7-Benzopyrene B(A)P Benzopyrene Benzo[d,e,f]chrysene Benzpyrene Benz[a]pyrene B[A]P Coal tar pitch volatiles: Benzo(a)pyrene AI3-50461 CCRIS 76 EINECS 200-028-5 HSDB 2554 NSC 21914 RCRA WASTE NO. U022
CAS Registry Number 50-32-8
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
Molecular Weight 252.316 g/mol
SMILES c1cc2c(c3c4c5c(cc3)cccc5ccc4c2)cc1
SPLASH splash10-0udi-0390000000-5517c9f46840bc306020
Source of Spectrum NP-18-4252-0
Wiley ID 1106390