For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Benzo(a)pyrene

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

View Spectrum of Benzo(a)pyrene

MS (GC) Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany

View Spectrum of Benzo(a)pyrene

MS (GC) Spectrum
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS

View Spectrum of Benzo(a)pyrene

MS (GC) Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany

View Spectrum of Benzo(a)pyrene

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum AD-0-5403-0

View Spectrum of Benzo(a)pyrene

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum PG-1982-407-0

View Spectrum of Benzo(a)pyrene

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum PG-1982-406-0

View Spectrum of Benzo(a)pyrene

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum JZ-1992-2071-0

View Spectrum of Benzo(a)pyrene

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum QC-23-1101-0

View Spectrum of Benzo(a)pyrene

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum Va-0-0-0

View Spectrum of Benzo(a)pyrene

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum Va-0-0-0

View Spectrum of Benzo(a)pyrene

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum NP-18-4252-0

View Spectrum of Benzo(a)pyrene

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum LQ-1992-4205-0

View Spectrum of Benzo(a)pyrene

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum JZ-1992-3104-0

View Spectrum of Benzo(a)pyrene

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.

View Spectrum of Benzo(a)pyrene

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SRH-2022-1606-0

View Spectrum of Benzo(a)pyrene

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

View Spectrum of Benzo(a)pyrene

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

View Spectrum of Benzo(a)pyrene

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

View Spectrum of Benzo(a)pyrene

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

View Spectrum of Benzo(a)pyrene

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent FSO3H/SBF5

View Spectrum of Benzo(a)pyrene

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of Benzo(a)pyrene

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of Benzo(a)pyrene

13C NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number B10080
Solvent CDCl3

View Spectrum of Benzo(a)pyrene

1H NMR Spectrum
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Fluka Chemie AG, Buchs, Switzerland
Solvent CDCl3

View Spectrum of Benzo(a)pyrene

1H NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number B10080
Solvent CDCl3

View Spectrum of Benzo(a)pyrene

FTIR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Fluka Chemie AG, Buchs, Switzerland
Technique KBr WAFER

View Spectrum of Benzo(a)pyrene

FTIR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample FLUKA CHEMIE AG, BUCHS, SWITZERLAND
Technique KBr WAFER

View Spectrum of Benzo(a)pyrene

FTIR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number B10080
Technique Mull

View Spectrum of Benzo(a)pyrene

ATR-IR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number B10080

View Spectrum of Benzo(a)pyrene

Raman Spectrum
Copyright Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Catalog Number B10080
  • 3,4-Benzopyrene
  • 3,4-BP
  • 1,2-Benzpyrene dication
  • 1,2-BENZOPYRENE
1,3-Dideuterio-benzo(A)pyrene
Benzo[a]pyrene - D12
Benzo[a]pyrene-8-d, 98 atom % D
Benzo[a]pyrene-7,8-d2
DIBENZO[b,def]CHRYSENE
Naphtho[1,2-a]anthracene
Benzo[b]chrysene
naphtho(2,3-a)coronene
Benzo[g]chrysene, 12-chloro-
10-Methoxybenz[a]anthracene
Dibenz[a,j]anthracen-3-ol
3-Acetylaminochrysene
Tetrakis(benzo[c]phenanthren-2-yl)methane
2-naphtho[1,2-b]phenanthrenol
Title Journal or Book Year
Protonation of benzo[a]pyrene dibenzo[a,e]pyrene and benzo[e]pyrene in superacids: NMR studies of charge distribution in persistent arenium ions and AM1 calculations Journal of the Chemical Society, Perkin Transactions 2 1995
Carbon-13 Nuclear Magnetic Resonance Spectra of Carcinogenic Polynuclear Hydrocarbons. II. Benzo[a]pyrene Canadian Journal of Chemistry 1975

Sigma-Aldrich Library of Raman Spectra
Author: Wiley/Sigma-Aldrich

Wiley, on behalf of Merck KGaA Darmstadt, Germany, releases the Sigma-Aldrich Library of Raman Spectra, featuring over 6,480 high-quality Raman spectra. Learn more.

NIST/EPA/NIH MS/MS Mass Spectral Library 2020 APCI
Author: NIST

The NIST/EPA/NIH MS/MS 2020 libraries contain over 1,320,000 spectra for over 185,500 ions. The MS/MS libraries also contain metabolites, peptides (including biologically-relevant peptides), contaminants, lipids, and more. Learn more.

Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.