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2,1-Benzisoxazole-6-carboxylic acid, 1,3-dihydro-1-(2-hydroxyethyl)-3-oxo-, methyl ester
SpectraBase Compound ID HzhgIiogqng
InChI InChI=1S/C11H11NO5/c1-16-10(14)7-2-3-8-9(6-7)12(4-5-13)17-11(8)15/h2-3,6,13H,4-5H2,1H3
InChIKey RMFXYJBYWLPGLQ-UHFFFAOYSA-N
Mol Weight 237.21 g/mol
Molecular Formula C11H11NO5
Exact Mass 237.063722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FdHLAdomG
Name 2,1-Benzisoxazole-6-carboxylic acid, 1,3-dihydro-1-(2-hydroxyethyl)-3-oxo-, methyl ester
Alternate Name(s) Methyl 1-(2-hydroxyethyl)-3-oxo-1,3-dihydrobenzo[c]isoxazole-6-carboxylate Methyl 1-(2-hydroxyethyl)-3-oxo-1,3-dihydro-2,1-benzoxazole-6-carboxylate 1-(2-hydroxyethyl)-3-oxo-2,1-benzoxazole-6-carboxylic acid methyl ester Methyl 1-(2-hydroxyethyl)-3-oxo-2,1-benzoxazole-6-carboxylate Methyl 1-(2-hydroxyethyl)-3-oxidanylidene-2,1-benzoxazole-6-carboxylate
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Formula C11H11NO5
InChI InChI=1S/C11H11NO5/c1-16-10(14)7-2-3-8-9(6-7)12(4-5-13)17-11(8)15/h2-3,6,13H,4-5H2,1H3
InChIKey RMFXYJBYWLPGLQ-UHFFFAOYSA-N
Molecular Weight 237.211 g/mol
SMILES OCCN1OC(c2ccc(C(OC)=O)cc12)=O
SPLASH splash10-004i-9310000000-a4c6a36cd9505f5d6182
Source of Spectrum JX-2015-1-112
Wiley ID 1720970