| SpectraBase Compound ID | 8pzIC0dGRTO |
|---|---|
| InChI | InChI=1S/C10H20O3/c1-4-5-6-7-9(12-2)8-10(11)13-3/h9H,4-8H2,1-3H3 |
| InChIKey | YOPQFZCMNGQWER-UHFFFAOYSA-N |
| Mol Weight | 188.27 g/mol |
| Molecular Formula | C10H20O3 |
| Exact Mass | 188.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 40SDQiUvcSC |
|---|---|
| Name | Octanoic acid, 3-methoxy-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.141244501 u |
| Formula | C10H20O3 |
| InChI | InChI=1S/C10H20O3/c1-4-5-6-7-9(12-2)8-10(11)13-3/h9H,4-8H2,1-3H3 |
| InChIKey | YOPQFZCMNGQWER-UHFFFAOYSA-N |
| Molecular Weight | 188.267 g/mol |
| SMILES | C(CC(OC)CCCCC)(=O)OC |