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7-Acetoxy-4-(2-nitroimidazol-1-ylmethyl)-2H-1-benzopyran-2-one
SpectraBase Compound ID 3pVVkDheafF
InChI InChI=1S/C15H11N3O6/c1-9(19)23-11-2-3-12-10(6-14(20)24-13(12)7-11)8-17-5-4-16-15(17)18(21)22/h2-7H,8H2,1H3
InChIKey XJMRMAWIFVYKJT-UHFFFAOYSA-N
Mol Weight 329.27 g/mol
Molecular Formula C15H11N3O6
Exact Mass 329.064785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1aXTvWFjXc
Name 7-Acetoxy-4-(2-nitroimidazol-1-ylmethyl)-2H-1-benzopyran-2-one
Alternate Name(s) 4-[(2-nitro-1H-imidazol-1-yl)methyl]-2-oxo-2H-chromen-7-yl acetate Acetic acid[2-keto-4-[(2-nitroimidazol-1-yl)methyl]chromen-7-yl]ester Acetic acid[4-[(2-nitro-1-imidazolyl)methyl]-2-oxo-1-benzopyran-7-yl]ester [4-[(2-nitroimidazol-1-yl)methyl]-2-oxidanylidene-chromen-7-yl]ethanoate [4-[(2-nitroimidazol-1-yl)methyl]-2-oxo-chromen-7-yl]acetate Acetic acid [4-[(2-nitro-1-imidazolyl)methyl]-2-oxo-1-benzopyran-7-yl] ester [4-[(2-nitroimidazol-1-yl)methyl]-2-oxochromen-7-yl] acetate [4-[(2-nitroimidazol-1-yl)methyl]-2-oxo-chromen-7-yl] acetate [4-[(2-nitroimidazol-1-yl)methyl]-2-oxidanylidene-chromen-7-yl] ethanoate
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Formula C15H11N3O6
InChI InChI=1S/C15H11N3O6/c1-9(19)23-11-2-3-12-10(6-14(20)24-13(12)7-11)8-17-5-4-16-15(17)18(21)22/h2-7H,8H2,1H3
InChIKey XJMRMAWIFVYKJT-UHFFFAOYSA-N
Molecular Weight 329.268 g/mol
SMILES C1(C=C(c2c(O1)cc(cc2)OC(=O)C)C[n]1c(ncc1)N(=O)=O)=O
SPLASH splash10-0006-4090000000-bb3de85ed87963d83acd
Source of Spectrum SO-0-711-4
Wiley ID 1542474