| SpectraBase Spectrum ID |
1PpVmd00FAL |
| Name |
2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-6-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [R-[R*,R*-(E)]]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.365430784 u |
| Formula |
C29H48O2 |
| InChI |
InChI=1S/C29H48O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-23(5)18-19-27-26(8)28(30)24(6)25(7)29(27)31/h18,20-22H,9-17,19H2,1-8H3/b23-18+/t21-,22-/m1/s1 |
| InChIKey |
SJPDQAGAIQSHOW-MRIFWDATSA-N |
| Molecular Weight |
428.701 g/mol |
| SMILES |
C1(=C(C(=O)C(=C(C1=O)C)C)C)C\C=C\(CCC[C@@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968262 |
![2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-6-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [R-[R*,R*-(E)]]-](/api/spectrum/1PpVmd00FAL/structure.png?h=300&w=458 "2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-6-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [R-[R*,R*-(E)]]-")
