| SpectraBase Compound ID | LoLN9T7Vl1K |
|---|---|
| InChI | InChI=1S/C12H21NO3/c1-3-5-6-7-8-10-9-11(13-16-10)12(14)15-4-2/h10H,3-9H2,1-2H3 |
| InChIKey | MPENOMDJKHKLJU-UHFFFAOYSA-N |
| Mol Weight | 227.3 g/mol |
| Molecular Formula | C12H21NO3 |
| Exact Mass | 227.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8LdqqUtwUXy |
|---|---|
| Name | 5-Hexyl-2-isoxazoline-3-carboxylic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.152143537 u |
| Formula | C12H21NO3 |
| InChI | InChI=1S/C12H21NO3/c1-3-5-6-7-8-10-9-11(13-16-10)12(14)15-4-2/h10H,3-9H2,1-2H3 |
| InChIKey | MPENOMDJKHKLJU-UHFFFAOYSA-N |
| Molecular Weight | 227.304 g/mol |
| SMILES | C1(=NOC(C1)CCCCCC)C(=O)OCC |