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3,6-Dinitrobenzo[e]pyrene

View entire compound with spectra: 2 MS (GC)

3,6-Dinitrobenzo[e]pyrene
SpectraBase Compound ID PNMh9qvtJV
InChI InChI=1S/C20H10N2O4/c23-21(24)17-9-7-13-11-3-1-2-4-12(11)14-8-10-18(22(25)26)16-6-5-15(17)19(13)20(14)16/h1-10H
InChIKey JGKRGKLVJHVQGY-UHFFFAOYSA-N
Mol Weight 342.31 g/mol
Molecular Formula C20H10N2O4
Exact Mass 342.064057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HMi1xw03r6P
Name 3,6-Dinitrobenzo[e]pyrene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H10N2O4
InChI InChI=1S/C20H10N2O4/c23-21(24)17-9-7-13-11-3-1-2-4-12(11)14-8-10-18(22(25)26)16-6-5-15(17)19(13)20(14)16/h1-10H
InChIKey JGKRGKLVJHVQGY-UHFFFAOYSA-N
Molecular Weight 342.310 g/mol
SMILES c12c3c4ccc(N(=O)=O)c3ccc1c(N(=O)=O)ccc2c1c4cccc1
SPLASH splash10-0f6x-0069000000-c4b4ae8c257e3b726e47
Source of Spectrum CRT-18-284-DNBeP
Wiley ID 1710158