| SpectraBase Compound ID | FXukJSXIG3S |
|---|---|
| InChI | InChI=1S/C29H50O2/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-29(7)19-17-26-25(6)27(30-8)20-24(5)28(26)31-29/h20-23H,9-19H2,1-8H3 |
| InChIKey | AGSJHGZIOXTYIA-UHFFFAOYSA-N |
| Mol Weight | 430.7 g/mol |
| Molecular Formula | C29H50O2 |
| Exact Mass | 430.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LhcUTXcTOe5 |
|---|---|
| Name | .beta.-Tocopherol, o-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 430.381080848 u |
| Formula | C29H50O2 |
| InChI | InChI=1S/C29H50O2/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-29(7)19-17-26-25(6)27(30-8)20-24(5)28(26)31-29/h20-23H,9-19H2,1-8H3 |
| InChIKey | AGSJHGZIOXTYIA-UHFFFAOYSA-N |
| Molecular Weight | 430.717 g/mol |
| SMILES | C1(=CC(C)=C2C(=C1C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)OC |