| SpectraBase Spectrum ID |
5ZYtX248PXW |
| Name |
2,2-Dimethyl-3-(3,7,16,20-tetramethyl-heneicosa-3,7,11,15,19-pentaenyl)-oxirane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.370516165 u |
| Formula |
C29H48O |
| InChI |
InChI=1S/C29H48O/c1-24(2)16-14-19-25(3)17-12-10-8-9-11-13-18-26(4)20-15-21-27(5)22-23-28-29(6,7)30-28/h8-9,16-18,21,28H,10-15,19-20,22-23H2,1-7H3/b9-8+,25-17+,26-18+,27-21+ |
| InChIKey |
GJLFBTFXOMJJGN-XSLBJZTOSA-N |
| Molecular Weight |
412.702 g/mol |
| SMILES |
CC(C)=CCC\C(C)=C\CC\C=C\CC\C=C\(CC\C=C/(C)CCC1OC1(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815902 |
