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Benzo[a]pyrene - D12

View entire compound with spectra: 2 MS (GC)

Benzo[a]pyrene - D12
SpectraBase Compound ID CNWm7m63DSB
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/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
InChIKey FMMWHPNWAFZXNH-AQZSQYOVSA-N
Mol Weight 264.39 g/mol
Molecular Formula C20D12
Exact Mass 264.169221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BWJaEEO3nwd
Name d12-Benzo[a]pyrene
Alternate Name(s) Perdeuteriobenzo[a]pyrene Perdeuterio-3,4-Benzypyrene
CAS Registry Number 63466-71-7
Comments Deuterium (d12) substitution added
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20D12
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/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
InChIKey FMMWHPNWAFZXNH-AQZSQYOVSA-N
Molecular Weight 264.389 g/mol
SMILES c12c(c3c(c([D])c4c5c3c(c2[D])c(c(c5c(c([D])c4[D])[D])[D])[D])[D])c(c([D])c(c1[D])[D])[D]
SPLASH splash10-03yi-0790000000-a1124188fbb87fc74248
Source of Spectrum GA-1981-0-0
Wiley ID 1256478