| SpectraBase Spectrum ID |
Bplkb5pjGSw |
| Name |
(3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-Tetramethyl-18-(2,6,6-trimethyl-1-cyclohexenyl)-2-octadeca-3,5,7,9,11,13,15,17-octaenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.323565971 u |
| Formula |
C31H42O |
| InChI |
InChI=1S/C31H42O/c1-24(14-9-10-15-25(2)18-12-19-27(4)29(6)32)16-11-17-26(3)21-22-30-28(5)20-13-23-31(30,7)8/h9-12,14-19,21-22H,13,20,23H2,1-8H3/b10-9+,16-11+,18-12+,22-21+,24-14+,25-15+,26-17+,27-19+ |
| InChIKey |
SLQHGWZKKZPZEK-FZJXKDQPSA-N |
| Molecular Weight |
430.676 g/mol |
| SMILES |
C1(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C(=O)C)C)C)C)C)=C(CCCC1(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883454 |
