| SpectraBase Compound ID | 8JzsKjVOY5g |
|---|---|
| InChI | InChI=1S/C12H24O4/c1-3-4-5-6-8-16-12(14)10-11(13)7-9-15-2/h11,13H,3-10H2,1-2H3 |
| InChIKey | UHORLCSNXGMRHG-UHFFFAOYSA-N |
| Mol Weight | 232.32 g/mol |
| Molecular Formula | C12H24O4 |
| Exact Mass | 232.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BMIzfqMeDbC |
|---|---|
| Name | Hexyl (3S)-3-hydroxy-5-methoxypentanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.167459249 u |
| Formula | C12H24O4 |
| InChI | InChI=1S/C12H24O4/c1-3-4-5-6-8-16-12(14)10-11(13)7-9-15-2/h11,13H,3-10H2,1-2H3 |
| InChIKey | UHORLCSNXGMRHG-UHFFFAOYSA-N |
| Molecular Weight | 232.320 g/mol |
| SMILES | C(CC(CCOC)O)(=O)OCCCCCC |