| SpectraBase Compound ID | LsgSBew5BfG |
|---|---|
| InChI | InChI=1S/C26H50O2/c1-7-8-9-19-26(27)28-21-20-25(6)18-12-17-24(5)16-11-15-23(4)14-10-13-22(2)3/h20,22-24H,7-19,21H2,1-6H3/b25-20+ |
| InChIKey | IOHPSNOGTAJVPQ-LKUDQCMESA-N |
| Mol Weight | 394.7 g/mol |
| Molecular Formula | C26H50O2 |
| Exact Mass | 394.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ItWPbNVrbB |
|---|---|
| Name | Phytyl hexanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.381080848 u |
| Formula | C26H50O2 |
| InChI | InChI=1S/C26H50O2/c1-7-8-9-19-26(27)28-21-20-25(6)18-12-17-24(5)16-11-15-23(4)14-10-13-22(2)3/h20,22-24H,7-19,21H2,1-6H3/b25-20+ |
| InChIKey | IOHPSNOGTAJVPQ-LKUDQCMESA-N |
| Molecular Weight | 394.684 g/mol |
| SMILES | CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\COC(=O)CCCCC |