| SpectraBase Compound ID | IuuaNcN4eVm |
|---|---|
| InChI | InChI=1S/C18H34O2/c1-4-5-6-7-8-9-11-14-17(2)15-12-10-13-16-18(19)20-3/h15H,4-14,16H2,1-3H3/b17-15+ |
| InChIKey | OQDOMEGWVNDDSV-BMRADRMJSA-N |
| Mol Weight | 282.5 g/mol |
| Molecular Formula | C18H34O2 |
| Exact Mass | 282.25588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8l48qSiKH31 |
|---|---|
| Name | 6-Hexadecenoic acid, 7-methyl,methyl ester (E) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.255880333 u |
| Formula | C18H34O2 |
| InChI | InChI=1S/C18H34O2/c1-4-5-6-7-8-9-11-14-17(2)15-12-10-13-16-18(19)20-3/h15H,4-14,16H2,1-3H3/b17-15+ |
| InChIKey | OQDOMEGWVNDDSV-BMRADRMJSA-N |
| Molecular Weight | 282.468 g/mol |
| SMILES | C(OC)(CCCC\C=C\(CCCCCCCCC)C)=O |