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2,1-Benzisoxazole-5,7-dicarboxylic acid, 1,3-dihydro-3-oxo-1-(tetrahydro-2H-pyran-2-yl)-, dimethyl ester
SpectraBase Compound ID In9O8kEN4Ln
InChI InChI=1S/C16H17NO7/c1-21-14(18)9-7-10(15(19)22-2)13-11(8-9)16(20)24-17(13)12-5-3-4-6-23-12/h7-8,12H,3-6H2,1-2H3
InChIKey IAAGIPPSUFVRFZ-UHFFFAOYSA-N
Mol Weight 335.31 g/mol
Molecular Formula C16H17NO7
Exact Mass 335.100502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8QK6vbXxIK1
Name 2,1-Benzisoxazole-5,7-dicarboxylic acid, 1,3-dihydro-3-oxo-1-(tetrahydro-2H-pyran-2-yl)-, dimethyl ester
Alternate Name(s) Dimethyl 3-oxo-1-(tetrahydro-2H-pyran-2-yl)-1,3-dihydrobenzo[c]isoxazole-5,7-dicarboxylate Dimethyl 3-oxo-1-(tetrahydro-2H-pyran-2-yl)-1,3-dihydro-2,1-benzoxazole-5,7-dicarboxylate 1-(2-oxanyl)-3-oxo-2,1-benzoxazole-5,7-dicarboxylic acid dimethyl ester Dimethyl 1-(oxan-2-yl)-3-oxo-2,1-benzoxazole-5,7-dicarboxylate Dimethyl 3-oxo-1-tetrahydropyran-2-yl-2,1-benzoxazole-5,7-dicarboxylate Dimethyl 1-(oxan-2-yl)-3-oxidanylidene-2,1-benzoxazole-5,7-dicarboxylate
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Formula C16H17NO7
InChI InChI=1S/C16H17NO7/c1-21-14(18)9-7-10(15(19)22-2)13-11(8-9)16(20)24-17(13)12-5-3-4-6-23-12/h7-8,12H,3-6H2,1-2H3
InChIKey IAAGIPPSUFVRFZ-UHFFFAOYSA-N
Molecular Weight 335.312 g/mol
SMILES COC(=O)c1cc(C(=O)OC)c2N(C3CCCCO3)OC(=O)c2c1
SPLASH splash10-0019-9110000000-d5323ad3d6bc0aa66ac9
Source of Spectrum JX-2015-3-669
Wiley ID 1724215