![2H-Pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione, 2-(1H-benzotriazol-1-ylmethyl)-5-methyl-, cis-](/api/spectrum/G00nM70aChj/structure.png?h=300&w=458 "2H-Pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione, 2-(1H-benzotriazol-1-ylmethyl)-5-methyl-, cis-")
| SpectraBase Compound ID | GQzmLzEqieb |
|---|---|
| InChI | InChI=1S/C13H13N5O3/c1-16-12(19)8-6-17(21-11(8)13(16)20)7-18-10-5-3-2-4-9(10)14-15-18/h2-5,8,11H,6-7H2,1H3/t8-,11+/m0/s1 |
| InChIKey | XFZPXBNDHCNNGD-GZMMTYOYSA-N |
| Mol Weight | 287.28 g/mol |
| Molecular Formula | C13H13N5O3 |
| Exact Mass | 287.101839 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | G00nM70aChj |
|---|---|
| Name | 2H-Pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione, 2-(1H-benzotriazol-1-ylmethyl)-5-methyl-, cis- |
| CAS Registry Number | 132286-97-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H13N5O3 |
| InChI | InChI=1S/C13H13N5O3/c1-16-12(19)8-6-17(21-11(8)13(16)20)7-18-10-5-3-2-4-9(10)14-15-18/h2-5,8,11H,6-7H2,1H3/t8-,11+/m0/s1 |
| InChIKey | XFZPXBNDHCNNGD-GZMMTYOYSA-N |
| Molecular Weight | 287.279 g/mol |
| SMILES | [C@@]12([C@@](C(=O)N(C2=O)C)(CN(O1)C[n]1nnc2c1cccc2)[H])[H] |
| SPLASH | splash10-00o0-4900000000-20d5b14dd25ff48d41ec |
| Source of Spectrum | KC-1990-2374-6 |
| Synonyms | (3aS,6aR)-2-(1H-1,2,3-benzotriazol-1-ylmethyl)-5-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione cis-2-(benzotriazol-1-ylmethyl)-5-methyl-2,3,3a,6a-tetrahy-dropyrrolo[3,4-d]isoxazole-4,6-dione (3aS,6aR)-2-(1-benzotriazolylmethyl)-5-methyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione (3aS,6aR)-2-(benzotriazol-1-ylmethyl)-5-methyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione (3aS,6aR)-2-(benzotriazol-1-ylmethyl)-5-methyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione |
| Wiley ID | 1290652 |