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2,1-Benzisoxazole-5,6-dicarboxylic acid, 1,3-dihydro-1-methyl-3-oxo-, dimethyl ester
SpectraBase Compound ID 75rnMKrx2nZ
InChI InChI=1S/C12H11NO6/c1-13-9-5-7(11(15)18-3)6(10(14)17-2)4-8(9)12(16)19-13/h4-5H,1-3H3
InChIKey OPIFZYKIZYGXKZ-UHFFFAOYSA-N
Mol Weight 265.22 g/mol
Molecular Formula C12H11NO6
Exact Mass 265.058637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID uWVq8MK69R
Name 2,1-Benzisoxazole-5,6-dicarboxylic acid, 1,3-dihydro-1-methyl-3-oxo-, dimethyl ester
Alternate Name(s) Dimethyl 1-methyl-3-oxo-1,3-dihydrobenzo[c]isoxazole-5,6-dicarboxylate Dimethyl 1-methyl-3-oxo-1,3-dihydro-2,1-benzoxazole-5,6-dicarboxylate 1-Methyl-3-oxo-2,1-benzoxazole-5,6-dicarboxylic acid dimethyl ester Dimethyl 1-methyl-3-oxo-2,1-benzoxazole-5,6-dicarboxylate Dimethyl 1-methyl-3-oxidanylidene-2,1-benzoxazole-5,6-dicarboxylate
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Formula C12H11NO6
InChI InChI=1S/C12H11NO6/c1-13-9-5-7(11(15)18-3)6(10(14)17-2)4-8(9)12(16)19-13/h4-5H,1-3H3
InChIKey OPIFZYKIZYGXKZ-UHFFFAOYSA-N
Molecular Weight 265.221 g/mol
SMILES COC(=O)c1cc2N(C)OC(=O)c2cc1C(=O)OC
SPLASH splash10-0159-3490000000-8b8b47139888f1e08b51
Source of Spectrum JX-2015-2-298
Wiley ID 1722036