3-Nitrobenzo[a]pyrene

SpectraBase Compound ID	5XdkyN6bP3P
InChI	InChI=1S/C20H11NO2/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/h1-11H
InChIKey	CQIJHYPCKYZMIV-UHFFFAOYSA-N Google Search
Mol Weight	297.31 g/mol
Molecular Formula	C20H11NO2
Exact Mass	297.078979 g/mol

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SpectraBase Spectrum ID	zC5Rb6Ifzy
Name	3-nitrobenzo[a]pyrene
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H11NO2
InChI	InChI=1S/C20H11NO2/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/h1-11H
InChIKey	CQIJHYPCKYZMIV-UHFFFAOYSA-N
Instrument Name	Finnigan quadrupole
Ionization Type	EI
Literature Reference DOI	10.1016/j.rechem.2021.100099
Molecular Weight	297.313 g/mol
SMILES	c1cc2c(cc1)cc1c3c2ccc2c3c(cc1)c(cc2)[N+]([O-])=O
SPLASH	splash10-0udj-0190000000-55ac9c638dd336f8e2b0
Source of Spectrum	RIC-3-3-1-Nbap
Wiley ID	1876956