![3Ah-pyrrolo[3,4-d]isoxazole-3-carboxylic acid, 4,6-dioxo-5-phenyl-4,5,6,6a-tetrahydro-, methyl ester](/api/spectrum/D7uISlTBtyh/structure.png?h=300&w=458 "3Ah-pyrrolo[3,4-d]isoxazole-3-carboxylic acid, 4,6-dioxo-5-phenyl-4,5,6,6a-tetrahydro-, methyl ester")
| SpectraBase Compound ID | 11dXkQxOYZH |
|---|---|
| InChI | InChI=1S/C13H10N2O5/c1-19-13(18)9-8-10(20-14-9)12(17)15(11(8)16)7-5-3-2-4-6-7/h2-6,8,10H,1H3 |
| InChIKey | KBVIPRCJINMKIJ-UHFFFAOYSA-N |
| Mol Weight | 274.23 g/mol |
| Molecular Formula | C13H10N2O5 |
| Exact Mass | 274.058971 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | D7uISlTBtyh |
|---|---|
| Name | 3Ah-pyrrolo[3,4-d]isoxazole-3-carboxylic acid, 4,6-dioxo-5-phenyl-4,5,6,6a-tetrahydro-, methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H10N2O5 |
| InChI | InChI=1S/C13H10N2O5/c1-19-13(18)9-8-10(20-14-9)12(17)15(11(8)16)7-5-3-2-4-6-7/h2-6,8,10H,1H3 |
| InChIKey | KBVIPRCJINMKIJ-UHFFFAOYSA-N |
| Molecular Weight | 274.232 g/mol |
| SMILES | C12C(C(=O)N(C2=O)c2ccccc2)ON=C1C(=O)OC |
| SPLASH | splash10-014i-8920000000-cf1a701d263daacb4f9e |
| Synonyms | 4,6-Diketo-5-phenyl-3a,6a-dihydropyrrol[3,4-d]isoxazole-3-carboxylic acid methyl ester 4,6-Dioxo-5-phenyl-3a,6a-dihydropyrrolo[3,4-d]isoxazole-3-carboxylic acid methyl ester Methyl 4,6-bis(oxidanylidene)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylate Methyl 4,6-dioxo-5-phenyl-3a,6a-dihydropyrrolo[3,4-d]isoxazole-3-carboxylate Methyl 4,6-dioxo-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylate Methyl 4,6-dioxo-5-phenyl-4,5,6,6a-tetrahydro-3ah-pyrrolo[3,4-d]isoxazole-3-carboxylate |
| Wiley ID | 1447240 |