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3-Hydroxy-4-methoxy-10-nitrophenanthrene-1-carboxylic acid methyl ester
SpectraBase Compound ID K5KS6pLLUFz
InChI InChI=1S/C17H13NO6/c1-23-16-13(19)8-11(17(20)24-2)14-12(18(21)22)7-9-5-3-4-6-10(9)15(14)16/h3-8,19H,1-2H3
InChIKey KSBCPTHITUHSPO-UHFFFAOYSA-N
Mol Weight 327.29 g/mol
Molecular Formula C17H13NO6
Exact Mass 327.074287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nsC52uNDF7
Name 3-Hydroxy-4-methoxy-10-nitrophenanthrene-1-carboxylic acid methyl ester
Alternate Name(s) 3-Hydroxy-4-methoxy-10-nitrophenanthrene-1-carboxylic Acid Methyl 3-hydroxy-4-methoxy-10-nitro-1-phenanthrenecarboxylate
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Formula C17H13NO6
InChI InChI=1S/C17H13NO6/c1-23-16-13(19)8-11(17(20)24-2)14-12(18(21)22)7-9-5-3-4-6-10(9)15(14)16/h3-8,19H,1-2H3
InChIKey KSBCPTHITUHSPO-UHFFFAOYSA-N
Molecular Weight 327.292 g/mol
SMILES Oc1c(c2c(c(N(=O)=O)cc3c2cccc3)c(c1)C(=O)OC)OC
SPLASH splash10-0f89-0090000000-d94348ef65d2fc1392c6
Source of Spectrum X2-53-180-1
Wiley ID 1603383