| SpectraBase Compound ID | 6guO6zrxSL9 |
|---|---|
| InChI | InChI=1S/C19H34O4/c1-17(20)13-9-6-4-3-5-7-10-14-18(21)15-11-8-12-16-19(22)23-2/h7,10,18,21H,3-6,8-9,11-16H2,1-2H3/b10-7- |
| InChIKey | WWLMYAVSVMCUGF-YFHOEESVSA-N |
| Mol Weight | 326.5 g/mol |
| Molecular Formula | C19H34O4 |
| Exact Mass | 326.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6U39gFJKSm8 |
|---|---|
| Name | 7-Hydroxy-17-oxo-9-cis-octadecanoic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.245709571 u |
| Formula | C19H34O4 |
| InChI | InChI=1S/C19H34O4/c1-17(20)13-9-6-4-3-5-7-10-14-18(21)15-11-8-12-16-19(22)23-2/h7,10,18,21H,3-6,8-9,11-16H2,1-2H3/b10-7- |
| InChIKey | WWLMYAVSVMCUGF-YFHOEESVSA-N |
| Molecular Weight | 326.477 g/mol |
| SMILES | C(=O)(CCCCCC\C=C/CC(CCCCCC(=O)OC)O)C |