| SpectraBase Compound ID | HDaQNVQ3RNT |
|---|---|
| InChI | InChI=1S/C9H13NO3/c1-3-12-9(11)5-4-8-6-7(2)13-10-8/h6H,3-5H2,1-2H3 |
| InChIKey | NPBXVJWSRXABLE-UHFFFAOYSA-N |
| Mol Weight | 183.21 g/mol |
| Molecular Formula | C9H13NO3 |
| Exact Mass | 183.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ly5ymsOdFoe |
|---|---|
| Name | Ethyl 5-methyl-3-isoxazolepropanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.089543280 u |
| Formula | C9H13NO3 |
| InChI | InChI=1S/C9H13NO3/c1-3-12-9(11)5-4-8-6-7(2)13-10-8/h6H,3-5H2,1-2H3 |
| InChIKey | NPBXVJWSRXABLE-UHFFFAOYSA-N |
| Molecular Weight | 183.207 g/mol |
| SMILES | C=1(C=C(C)ON1)CCC(OCC)=O |