| SpectraBase Compound ID | B3DAtdB4Ktv |
|---|---|
| InChI | InChI=1S/C28H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(29)30-26-22-28(23(2)3)21-25(28)24(26)4/h23,25-26H,4-22H2,1-3H3 |
| InChIKey | VPQBWZTYLJKGFB-UHFFFAOYSA-N |
| Mol Weight | 418.7 g/mol |
| Molecular Formula | C28H50O2 |
| Exact Mass | 418.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IhA4cdiERSZ |
|---|---|
| Name | Sabinyl stearate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 418.381080848 u |
| Formula | C28H50O2 |
| InChI | InChI=1S/C28H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(29)30-26-22-28(23(2)3)21-25(28)24(26)4/h23,25-26H,4-22H2,1-3H3 |
| InChIKey | VPQBWZTYLJKGFB-UHFFFAOYSA-N |
| Molecular Weight | 418.706 g/mol |
| SMILES | C(CCCCCCCCCCCCCCCCC)(=O)OC1CC2(CC2C1=C)C(C)C |