| SpectraBase Compound ID | 3M41AKz1Qdx |
|---|---|
| InChI | InChI=1S/C19H30O3/c1-2-3-13-19(14-7-11-18(21)12-8-15-20)22-16-17-9-5-4-6-10-17/h4-7,9-11,18-21H,2-3,8,12-16H2,1H3/b11-7+/t18-,19+/m0/s1 |
| InChIKey | SZJURUYDXRVLTD-MLLMCGKQSA-N |
| Mol Weight | 306.45 g/mol |
| Molecular Formula | C19H30O3 |
| Exact Mass | 306.219495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BPvgyQrTBAO |
|---|---|
| Name | (4R,5E,8R)-8-Benzyloxydodec-5-ene-1,4-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.219494823 u |
| Formula | C19H30O3 |
| InChI | InChI=1S/C19H30O3/c1-2-3-13-19(14-7-11-18(21)12-8-15-20)22-16-17-9-5-4-6-10-17/h4-7,9-11,18-21H,2-3,8,12-16H2,1H3/b11-7+/t18-,19+/m0/s1 |
| InChIKey | SZJURUYDXRVLTD-MLLMCGKQSA-N |
| SMILES | [C@](\C=C\C[C@](OCC=1C=CC=CC1)(CCCC)[H])(O)(CCCO)[H] |