| SpectraBase Compound ID | JHFEfYCxcsB |
|---|---|
| InChI | InChI=1S/C19H34O3/c1-4-5-11-14-17(20)15-12-9-7-6-8-10-13-16-19(2,3)18(21)22/h1,17,20H,5-16H2,2-3H3,(H,21,22) |
| InChIKey | NKCUSUZBSTZOHV-UHFFFAOYSA-N |
| Mol Weight | 310.5 g/mol |
| Molecular Formula | C19H34O3 |
| Exact Mass | 310.250795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ACsVAhgvtg |
|---|---|
| Name | 2,2-Dimethyl-12-hydroxy-16-heptadecynoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.250794952 u |
| Formula | C19H34O3 |
| InChI | InChI=1S/C19H34O3/c1-4-5-11-14-17(20)15-12-9-7-6-8-10-13-16-19(2,3)18(21)22/h1,17,20H,5-16H2,2-3H3,(H,21,22) |
| InChIKey | NKCUSUZBSTZOHV-UHFFFAOYSA-N |
| SMILES | C(C(CCCCCCCCCC(CCCC#C)O)(C)C)(=O)O |