| SpectraBase Spectrum ID |
5whcSPjIudl |
| Name |
.beta.-Tocopherol, o-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880659 |
