| SpectraBase Compound ID | C9waJX9aemQ |
|---|---|
| InChI | InChI=1S/C11H22O3/c1-9(8-10(12)14-4)6-5-7-11(2,3)13/h9,13H,5-8H2,1-4H3 |
| InChIKey | ZACBVWZKNMSLMF-UHFFFAOYSA-N |
| Mol Weight | 202.29 g/mol |
| Molecular Formula | C11H22O3 |
| Exact Mass | 202.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CeWWhgQU2oV |
|---|---|
| Name | Octanoic acid, 7-hydroxy-3,7-dimethyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.156894565 u |
| Formula | C11H22O3 |
| InChI | InChI=1S/C11H22O3/c1-9(8-10(12)14-4)6-5-7-11(2,3)13/h9,13H,5-8H2,1-4H3 |
| InChIKey | ZACBVWZKNMSLMF-UHFFFAOYSA-N |
| Molecular Weight | 202.294 g/mol |
| SMILES | C(C(CCCC(C)(C)O)C)C(OC)=O |