| SpectraBase Compound ID | F8rrqnEhIwB |
|---|---|
| InChI | InChI=1S/C12H24O3/c1-10(9-11(13)14-4)7-6-8-12(2,3)15-5/h10H,6-9H2,1-5H3 |
| InChIKey | SQHGQUUHUFEFJT-UHFFFAOYSA-N |
| Mol Weight | 216.32 g/mol |
| Molecular Formula | C12H24O3 |
| Exact Mass | 216.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 62qifRaJCOM |
|---|---|
| Name | Octanoic acid, 7-methoxy-3,7-dimethyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.172544630 u |
| Formula | C12H24O3 |
| InChI | InChI=1S/C12H24O3/c1-10(9-11(13)14-4)7-6-8-12(2,3)15-5/h10H,6-9H2,1-5H3 |
| InChIKey | SQHGQUUHUFEFJT-UHFFFAOYSA-N |
| Molecular Weight | 216.321 g/mol |
| SMILES | C(C(OC)(C)C)CCC(CC(OC)=O)C |