| SpectraBase Compound ID | GeriqIQ06e4 |
|---|---|
| InChI | InChI=1S/C22H42O2/c1-8-22(7,24-21(6)23)17-11-16-20(5)15-10-14-19(4)13-9-12-18(2)3/h8,18-20H,1,9-17H2,2-7H3 |
| InChIKey | GKWIQRXSJFOVGL-UHFFFAOYSA-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 | 7fFp7Yvu9yD |
|---|---|
| Name | Isophytol, acetate |
| 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/c1-8-22(7,24-21(6)23)17-11-16-20(5)15-10-14-19(4)13-9-12-18(2)3/h8,18-20H,1,9-17H2,2-7H3 |
| InChIKey | GKWIQRXSJFOVGL-UHFFFAOYSA-N |
| Molecular Weight | 338.576 g/mol |
| SMILES | C(C(OC(C)=O)(CCCC(CCCC(CCCC(C)C)C)C)C)=C |