| SpectraBase Compound ID | 8j46eO5yKEr |
|---|---|
| InChI | InChI=1S/C19H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22-2/h4-5,7-8,10-11,18,20H,3,6,9,12-17H2,1-2H3/b5-4-,8-7-,11-10- |
| InChIKey | DYFXKQIZAHPOSD-YSTUJMKBSA-N |
| Mol Weight | 308.5 g/mol |
| Molecular Formula | C19H32O3 |
| Exact Mass | 308.235145 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ILvR9yEENRc |
|---|---|
| Name | Methyl 2-hydroxy-octadeca-9,12,15-trienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.235144887 u |
| Formula | C19H32O3 |
| InChI | InChI=1S/C19H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22-2/h4-5,7-8,10-11,18,20H,3,6,9,12-17H2,1-2H3/b5-4-,8-7-,11-10- |
| InChIKey | DYFXKQIZAHPOSD-YSTUJMKBSA-N |
| Molecular Weight | 308.462 g/mol |
| SMILES | C(C(C(=O)OC)O)CCCCC\C=C/C\C=C/C\C=C/CC |