| SpectraBase Compound ID | I368gDKGaVU |
|---|---|
| InChI | InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-14-17(2)15-12-13-16-18(19)20/h6-7,17H,3-5,8-16H2,1-2H3,(H,19,20)/b7-6- |
| InChIKey | MSMHAJYRIOTSSP-SREVYHEPSA-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 | 3nEdwXW9v9j |
|---|---|
| Name | (Z)-6-Methyl-12-heptadecenoic acid |
| 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/c1-3-4-5-6-7-8-9-10-11-14-17(2)15-12-13-16-18(19)20/h6-7,17H,3-5,8-16H2,1-2H3,(H,19,20)/b7-6- |
| InChIKey | MSMHAJYRIOTSSP-SREVYHEPSA-N |
| Molecular Weight | 282.468 g/mol |
| SMILES | CCCC\C=C/CCCCCC(CCCCC(O)=O)C |