| SpectraBase Compound ID | 1Xf8iXtj6Pj |
|---|---|
| InChI | InChI=1S/C30H58O2/c1-7-8-9-10-11-12-13-23-30(31)32-25-24-29(6)22-16-21-28(5)20-15-19-27(4)18-14-17-26(2)3/h24,26-28H,7-23,25H2,1-6H3/b29-24+ |
| InChIKey | VQNBYXCYEWSWMZ-RMLRFSFXSA-N |
| Mol Weight | 450.8 g/mol |
| Molecular Formula | C30H58O2 |
| Exact Mass | 450.443681 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ewhufLqyvy |
|---|---|
| Name | Phytyl decanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 450.443681106 u |
| Formula | C30H58O2 |
| InChI | InChI=1S/C30H58O2/c1-7-8-9-10-11-12-13-23-30(31)32-25-24-29(6)22-16-21-28(5)20-15-19-27(4)18-14-17-26(2)3/h24,26-28H,7-23,25H2,1-6H3/b29-24+ |
| InChIKey | VQNBYXCYEWSWMZ-RMLRFSFXSA-N |
| Molecular Weight | 450.792 g/mol |
| SMILES | C(CCCCCCCCC)(=O)OC\C=C/(C)CCCC(C)CCCC(C)CCCC(C)C |