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O-acetylcinnabarine - methyl ester
SpectraBase Compound ID IHYiW8MUfrE
InChI InChI=1S/C17H14N2O6/c1-8(20)24-7-10-14(18)11(21)6-13-16(10)19-15-9(17(22)23-2)4-3-5-12(15)25-13/h3-6H,7,18H2,1-2H3
InChIKey QFQDXBJSOPQCKS-UHFFFAOYSA-N
Mol Weight 342.31 g/mol
Molecular Formula C17H14N2O6
Exact Mass 342.085186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JHPqfFcH4e
Name O-acetylcinnabarine - methyl ester
Alternate Name(s) Methyl 9-(acetoxymethyl)-2-amino-3-oxo-benzo[6,7-a]phenoxazine-1-carboxylate
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Formula C17H14N2O6
InChI InChI=1S/C17H14N2O6/c1-8(20)24-7-10-14(18)11(21)6-13-16(10)19-15-9(17(22)23-2)4-3-5-12(15)25-13/h3-6H,7,18H2,1-2H3
InChIKey QFQDXBJSOPQCKS-UHFFFAOYSA-N
Molecular Weight 342.307 g/mol
SMILES NC1=C(C2=Nc3c(C(=O)OC)cccc3OC2=CC1=O)COC(=O)C
SPLASH splash10-00kf-1093000000-b0172f7b628e42682f9c
Source of Spectrum D8-324-6-5
Wiley ID 1513940