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3-Nitro-9,10-dihydrobenzo[a]pyrene
SpectraBase Compound ID DTyxrU5xIsx
InChI InChI=1S/C20H13NO2/c22-21(23)18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1,3,5-11H,2,4H2
InChIKey NSSJCBLIILRMRW-UHFFFAOYSA-N
Mol Weight 299.33 g/mol
Molecular Formula C20H13NO2
Exact Mass 299.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DGYeQJedtMR
Name 3-Nitro-9,10-dihydrobenzo[a]pyrene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13NO2
InChI InChI=1S/C20H13NO2/c22-21(23)18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1,3,5-11H,2,4H2
InChIKey NSSJCBLIILRMRW-UHFFFAOYSA-N
Molecular Weight 299.329 g/mol
SMILES c12c3c4c(N(=O)=O)ccc3ccc1c1CCC=Cc1cc2cc4
SPLASH splash10-014r-0090000000-9e387395cb2966d2a3f2
Source of Spectrum CRT-6-604-5
Wiley ID 1709338