| SpectraBase Compound ID | HXlv1tn79aa |
|---|---|
| InChI | InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h17-18H,2-16,19-21H2,1H3,(H,23,24)/b18-17- |
| InChIKey | RFCSPHPIGYWVCG-ZCXUNETKSA-N |
| Mol Weight | 338.6 g/mol |
| Molecular Formula | C22H42O2 |
| Exact Mass | 338.318481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JPB7hbvFxrl |
|---|---|
| Name | (Z)-Docos-5-en-1-oic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.318480590 u |
| Formula | C22H42O2 |
| InChI | InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h17-18H,2-16,19-21H2,1H3,(H,23,24)/b18-17- |
| InChIKey | RFCSPHPIGYWVCG-ZCXUNETKSA-N |
| Molecular Weight | 338.576 g/mol |
| SMILES | C(CCCC\C=C/CCCC(O)=O)CCCCCCCCCCC |