| SpectraBase Compound ID | 8cwfLvOVGs6 |
|---|---|
| InChI | InChI=1S/C32H62O2/c1-7-8-9-10-11-12-13-14-15-25-32(33)34-27-26-31(6)24-18-23-30(5)22-17-21-29(4)20-16-19-28(2)3/h26,28-30H,7-25,27H2,1-6H3/b31-26+ |
| InChIKey | AGWFXWWNJHQGIB-GKPLWNPISA-N |
| Mol Weight | 478.8 g/mol |
| Molecular Formula | C32H62O2 |
| Exact Mass | 478.474981 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | flxy3NlVoB |
|---|---|
| Name | Phytyl dodecanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 478.474981234 u |
| Formula | C32H62O2 |
| InChI | InChI=1S/C32H62O2/c1-7-8-9-10-11-12-13-14-15-25-32(33)34-27-26-31(6)24-18-23-30(5)22-17-21-29(4)20-16-19-28(2)3/h26,28-30H,7-25,27H2,1-6H3/b31-26+ |
| InChIKey | AGWFXWWNJHQGIB-GKPLWNPISA-N |
| Molecular Weight | 478.846 g/mol |
| SMILES | C(CCCCCCCCCCC)(=O)OC\C=C/(C)CCCC(C)CCCC(C)CCCC(C)C |