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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4fiyLdXy4BK
Name Benzo(A)pyrene
CAS Registry Number 50-32-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Varian XL-100
Literature Reference G.W. Buchanan, R.S. Ozubko, Can. J. Chem. 53, 1829 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3