| SpectraBase Compound ID | 4Z12KMO37Bf |
|---|---|
| InChI | InChI=1S/C9H13NO5/c1-4-14-7(11)6-5-9(2,15-10-6)8(12)13-3/h4-5H2,1-3H3 |
| InChIKey | FKNBDGHITPBVNZ-UHFFFAOYSA-N |
| Mol Weight | 215.2 g/mol |
| Molecular Formula | C9H13NO5 |
| Exact Mass | 215.079373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6RvK7iljXYO |
|---|---|
| Name | 3-Ethyl 5-methyl 5-methyl-4,5-dihydroisoxazole-3,5-dicarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.079372518 u |
| Formula | C9H13NO5 |
| InChI | InChI=1S/C9H13NO5/c1-4-14-7(11)6-5-9(2,15-10-6)8(12)13-3/h4-5H2,1-3H3 |
| InChIKey | FKNBDGHITPBVNZ-UHFFFAOYSA-N |
| Molecular Weight | 215.205 g/mol |
| SMILES | C1(ON=C(C1)C(=O)OCC)(C(=O)OC)C |