7-Oxo-6-nitrocyclohexano[a]pyrene

SpectraBase Compound ID	B4mgiCMAydb
InChI	InChI=1S/C20H13NO3/c22-16-6-2-5-13-14-9-7-11-3-1-4-12-8-10-15(18(14)17(11)12)20(19(13)16)21(23)24/h1,3-4,7-10H,2,5-6H2
InChIKey	BKGHUXGFBRVPEB-UHFFFAOYSA-N Google Search
Mol Weight	315.33 g/mol
Molecular Formula	C20H13NO3
Exact Mass	315.089543 g/mol

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SpectraBase Spectrum ID	EYsQbmjTBXS
Name	7-Oxo-6-nitrocyclohexano[a]pyrene
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H13NO3
InChI	InChI=1S/C20H13NO3/c22-16-6-2-5-13-14-9-7-11-3-1-4-12-8-10-15(18(14)17(11)12)20(19(13)16)21(23)24/h1,3-4,7-10H,2,5-6H2
InChIKey	BKGHUXGFBRVPEB-UHFFFAOYSA-N
Molecular Weight	315.328 g/mol
SMILES	c1(c2c(CCCC2=O)c2c3c1ccc1cccc(c31)cc2)N(=O)=O
SPLASH	splash10-000i-0091000000-f5338c70911e6926fb5b
Source of Spectrum	OP-27-598-2
Wiley ID	850644