![2-Methyl-3-(2'-oxo-2H-[1]benzopyran-4'-yl)tetrahydroisoxazole-4,5-dicarboxylic acid - N-methylimide](/api/spectrum/KwAIaAeicKk/structure.png?h=300&w=458 "2-Methyl-3-(2'-oxo-2H-[1]benzopyran-4'-yl)tetrahydroisoxazole-4,5-dicarboxylic acid - N-methylimide")
| SpectraBase Compound ID | GMHMvEHGute |
|---|---|
| InChI | InChI=1S/C16H14N2O5/c1-17-15(20)12-13(18(2)23-14(12)16(17)21)9-7-11(19)22-10-6-4-3-5-8(9)10/h3-7,12-14H,1-2H3/t12-,13-,14+/m0/s1 |
| InChIKey | DNVZNPNFLZXGHI-MELADBBJSA-N |
| Mol Weight | 314.3 g/mol |
| Molecular Formula | C16H14N2O5 |
| Exact Mass | 314.090272 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KwAIaAeicKk |
|---|---|
| Name | 2-Methyl-3-(2'-oxo-2H-[1]benzopyran-4'-yl)tetrahydroisoxazole-4,5-dicarboxylic acid - N-methylimide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H14N2O5 |
| InChI | InChI=1S/C16H14N2O5/c1-17-15(20)12-13(18(2)23-14(12)16(17)21)9-7-11(19)22-10-6-4-3-5-8(9)10/h3-7,12-14H,1-2H3/t12-,13-,14+/m0/s1 |
| InChIKey | DNVZNPNFLZXGHI-MELADBBJSA-N |
| Molecular Weight | 314.297 g/mol |
| SMILES | [C@]12([C@](C(=O)N(C2=O)C)(ON([C@]1(C=1c2c(cccc2)OC(C1)=O)[H])C)[H])[H] |
| SPLASH | splash10-02t9-0914000000-6503236268be8f7584a3 |
| Source of Spectrum | Y-38-720-5 |
| Synonyms | (3R,3aS,6aR)-2,5-dimethyl-3-(2-oxo-1-benzopyran-4-yl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione (3R,3aS,6aR)-2,5-dimethyl-3-(2-oxochromen-4-yl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (3R,3aS,6aR)-2,5-dimethyl-3-(2-oxochromen-4-yl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione (3R,3aS,6aR)-2,5-dimethyl-3-(2-oxidanylidenechromen-4-yl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione |
| Wiley ID | 848492 |