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3,6-Dinitrobenzo[a]pyrene

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3,6-Dinitrobenzo[a]pyrene
SpectraBase Compound ID IwedhVYUcy4
InChI InChI=1S/C20H10N2O4/c23-21(24)17-10-6-11-5-7-13-12-3-1-2-4-14(12)20(22(25)26)16-9-8-15(17)18(11)19(13)16/h1-10H
InChIKey FZBOFNLBBMIJMT-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 FiZgsVAisER
Name 3,6-Dinitrobenzo[a]pyrene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H10N2O4
InChI InChI=1S/C20H10N2O4/c23-21(24)17-10-6-11-5-7-13-12-3-1-2-4-14(12)20(22(25)26)16-9-8-15(17)18(11)19(13)16/h1-10H
InChIKey FZBOFNLBBMIJMT-UHFFFAOYSA-N
Molecular Weight 342.310 g/mol
SMILES c12c(c(c3ccc4c(ccc5ccc2c3c45)N(=O)=O)N(=O)=O)cccc1
SPLASH splash10-0006-0097000000-6e9a9daf7bfbfe0eab0b
Source of Spectrum E1-38-3160-6
Wiley ID 1518512