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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 918ioEx9vR9
Name Benzo[a]pyrene
CAS Registry Number 50-32-8
Classification Chemical Pollutant
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 252.093900386 u
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 Electron Ionization (EI)
Molecular Weight 252.316 g/mol
SMILES c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3
SPLASH splash10-0udi-0390000000-d8d9ca57da873792ad7e
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_3703