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3-Propyl-6-nitroplumbagin
SpectraBase Compound ID LGTn9jOnnPv
InChI InChI=1S/C14H13NO5/c1-3-4-8-7(2)12(16)9-5-6-10(15(19)20)14(18)11(9)13(8)17/h5-6,18H,3-4H2,1-2H3
InChIKey QJKCPLYNNFSKBQ-UHFFFAOYSA-N
Mol Weight 275.26 g/mol
Molecular Formula C14H13NO5
Exact Mass 275.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1yZA1kTWUR3
Name 3-Propyl-6-nitroplumbagin
Alternate Name(s) 5-Hydroxy-2-methyl-6-nitro-3-propylnaphthalene-1,4-dione 5-Hydroxy-2-methyl-6-nitro-3-propyl-naphthalene-1,4-dione 2-Methyl-6-nitro-5-oxidanyl-3-propyl-naphthalene-1,4-dione
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Formula C14H13NO5
InChI InChI=1S/C14H13NO5/c1-3-4-8-7(2)12(16)9-5-6-10(15(19)20)14(18)11(9)13(8)17/h5-6,18H,3-4H2,1-2H3
InChIKey QJKCPLYNNFSKBQ-UHFFFAOYSA-N
Molecular Weight 275.260 g/mol
SMILES Oc1c(N(=O)=O)ccc2c1C(C(CCC)=C(C2=O)C)=O
SPLASH splash10-004i-0190000000-7d6b597b4272a3d15e34
Source of Spectrum E1-45-444-19
Wiley ID 1553698