| SpectraBase Compound ID | 9us2Nk7ZZsA |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-9(2)7-6-8-10(3)11(4)12(13)14-5/h6,8-11H,7H2,1-5H3/b8-6+ |
| InChIKey | XFAINYLZAKVHEM-SOFGYWHQSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C12H22O2 |
| Exact Mass | 198.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BnISr99CLZ9 |
|---|---|
| Name | 4-Octenoic acid, 2,3,7-trimethyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.161979946 u |
| Formula | C12H22O2 |
| InChI | InChI=1S/C12H22O2/c1-9(2)7-6-8-10(3)11(4)12(13)14-5/h6,8-11H,7H2,1-5H3/b8-6+ |
| InChIKey | XFAINYLZAKVHEM-SOFGYWHQSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | CC(C(C)\C=C\CC(C)C)C(OC)=O |