| SpectraBase Compound ID | 9JQmVmJ6QLs |
|---|---|
| InChI | InChI=1S/C12H13NO4/c1-12(11(14)15)7-10(13-17-12)8-3-5-9(16-2)6-4-8/h3-6H,7H2,1-2H3,(H,14,15) |
| InChIKey | JOOJUIXBGNUDBN-UHFFFAOYSA-N |
| Mol Weight | 235.24 g/mol |
| Molecular Formula | C12H13NO4 |
| Exact Mass | 235.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G0cB1UJfE4i |
|---|---|
| Name | 5-Isoxazolecarboxylic acid, 4,5-dihydro-3-(4-methoxyphenyl)-5-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.084457899 u |
| Formula | C12H13NO4 |
| InChI | InChI=1S/C12H13NO4/c1-12(11(14)15)7-10(13-17-12)8-3-5-9(16-2)6-4-8/h3-6H,7H2,1-2H3,(H,14,15) |
| InChIKey | JOOJUIXBGNUDBN-UHFFFAOYSA-N |
| Molecular Weight | 235.239 g/mol |
| SMILES | OC(C1(CC(=NO1)C=1C=CC(=CC1)OC)C)=O |