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2-Methyl-3-(4-nitro-benzoyl)-4a,8a-dihydro-[1,4]naphthoquinone
SpectraBase Compound ID Gnd8Spz1IQl
InChI InChI=1S/C18H11NO5/c1-10-15(17(21)11-6-8-12(9-7-11)19(23)24)18(22)14-5-3-2-4-13(14)16(10)20/h2-9H,1H3
InChIKey MJKFYTGOYICNOW-UHFFFAOYSA-N
Mol Weight 321.29 g/mol
Molecular Formula C18H11NO5
Exact Mass 321.063722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8WI1RrEq1gl
Name 2-Methyl-3-(4-nitro-benzoyl)-4a,8a-dihydro-[1,4]naphthoquinone
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H11NO5
InChI InChI=1S/C18H11NO5/c1-10-15(17(21)11-6-8-12(9-7-11)19(23)24)18(22)14-5-3-2-4-13(14)16(10)20/h2-9H,1H3
InChIKey MJKFYTGOYICNOW-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 321.288 g/mol
SMILES c1cc2c(C(C(=C(C2=O)C)C(c2ccc(cc2)[N+]([O-])=O)=O)=O)cc1
SPLASH splash10-00di-0593000000-fc56ee163ed3d254146e
Source of Spectrum US20110059972A1
Wiley ID 1861693