1-Nitrobenzo[e]pyrene

SpectraBase Compound ID	1VDXzjs2yuo
InChI	InChI=1S/C20H11NO2/c22-21(23)17-11-10-13-9-8-12-4-3-7-15-14-5-1-2-6-16(14)20(17)19(13)18(12)15/h1-11H
InChIKey	MXWQJYPMZBPDRV-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	Exui5jQLnSc
Name	1-Nitrobenzo[e]pyrene
Alternate Name(s)	8-Nitrobenzo[e]pyrene Benzo(e)pyrene, 3-nitro-
CAS Registry Number	81340-58-1
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H11NO2
InChI	InChI=1S/C20H11NO2/c22-21(23)17-11-10-13-9-8-12-4-3-7-15-14-5-1-2-6-16(14)20(17)19(13)18(12)15/h1-11H
InChIKey	MXWQJYPMZBPDRV-UHFFFAOYSA-N
Molecular Weight	297.313 g/mol
SMILES	c12c3c4c(cccc4c4c2cccc4)ccc3ccc1N(=O)=O
SPLASH	splash10-0uy0-0290000000-a6bdbff9f87c894ee04b
Source of Spectrum	J-61-5273-13
Wiley ID	1300360