| SpectraBase Spectrum ID |
BxAi4Is7FIn |
| Name |
.alpha.-Tocopheryl-quinone-2,3-oxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
462.370910086 u |
| Formula |
C29H50O4 |
| InChI |
InChI=1S/C29H50O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-27(7,32)18-19-29-26(31)24(6)23(5)25(30)28(29,8)33-29/h20-22,32H,9-19H2,1-8H3 |
| InChIKey |
HVYBSPVYLDVWGS-UHFFFAOYSA-N |
| Molecular Weight |
462.715 g/mol |
| SMILES |
C12(C(C(=O)C(=C(C2=O)C)C)(C)O1)CCC(O)(CCCC(CCCC(CCCC(C)C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812486 |
