| SpectraBase Compound ID | 6MvhigmH9Jq |
|---|---|
| InChI | InChI=1S/C13H26O4/c1-3-4-5-6-7-9-17-13(15)11-12(14)8-10-16-2/h12,14H,3-11H2,1-2H3 |
| InChIKey | YFELLKLSWXVTKU-UHFFFAOYSA-N |
| Mol Weight | 246.35 g/mol |
| Molecular Formula | C13H26O4 |
| Exact Mass | 246.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | EDshnu7dDdM |
|---|---|
| Name | Heptyl (3S)-3-hydroxy-5-methoxypentanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.183109313 u |
| Formula | C13H26O4 |
| InChI | InChI=1S/C13H26O4/c1-3-4-5-6-7-9-17-13(15)11-12(14)8-10-16-2/h12,14H,3-11H2,1-2H3 |
| InChIKey | YFELLKLSWXVTKU-UHFFFAOYSA-N |
| Molecular Weight | 246.347 g/mol |
| SMILES | C(CC(CCOC)O)(=O)OCCCCCCC |