| SpectraBase Spectrum ID |
2Eqdhv7tSXC |
| Name |
1,5,9-Cyclotetradecatriene, 11-methoxy-1,5,9-trimethyl-12-(1-methylethyl)-, [11R-(1E,5E,9E,11R*,12S*)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.276615778 u |
| Formula |
C21H36O |
| InChI |
InChI=1S/C21H36O/c1-16(2)20-14-13-18(4)11-7-9-17(3)10-8-12-19(5)15-21(20)22-6/h10-11,15-16,20-21H,7-9,12-14H2,1-6H3/b17-10+,18-11+,19-15+/t20-,21-/m0/s1 |
| InChIKey |
AILIANSFGUJFKA-UZNLQLKZSA-N |
| Molecular Weight |
304.518 g/mol |
| SMILES |
[C@@]1(\C=C\(CC\C=C\(CC\C=C\(CC[C@]1(C(C)C)[H])C)C)C)(OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897641 |
![1,5,9-Cyclotetradecatriene, 11-methoxy-1,5,9-trimethyl-12-(1-methylethyl)-, [11R-(1E,5E,9E,11R*,12S*)]-](/api/spectrum/2Eqdhv7tSXC/structure.png?h=300&w=458 "1,5,9-Cyclotetradecatriene, 11-methoxy-1,5,9-trimethyl-12-(1-methylethyl)-, [11R-(1E,5E,9E,11R*,12S*)]-")
