| SpectraBase Compound ID | 8Ad8yTcTRc9 |
|---|---|
| InChI | InChI=1S/C28H54O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(29)30-25-24-27(4)22-20-21-26(2)3/h21,27H,5-20,22-25H2,1-4H3 |
| InChIKey | UTULGKGDQRRQHR-UHFFFAOYSA-N |
| Mol Weight | 422.7 g/mol |
| Molecular Formula | C28H54O2 |
| Exact Mass | 422.412381 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G6goR3lT2tv |
|---|---|
| Name | 3,7-Dimethyloct-6-en-1-yl stearate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 422.412380977 u |
| Formula | C28H54O2 |
| InChI | InChI=1S/C28H54O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(29)30-25-24-27(4)22-20-21-26(2)3/h21,27H,5-20,22-25H2,1-4H3 |
| InChIKey | UTULGKGDQRRQHR-UHFFFAOYSA-N |
| Molecular Weight | 422.738 g/mol |
| SMILES | C(CCCCCCCCCCCCCCCCC)(=O)OCCC(CCC=C(C)C)C |