| SpectraBase Spectrum ID |
F1gWUS0g5t |
| Name |
(-)-(6R,4E)- 2,2,6-trimethyl-oct-4-en-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
168.151415263 u |
| Formula |
C11H20O |
| InChI |
InChI=1S/C11H20O/c1-6-9(2)7-8-10(12)11(3,4)5/h7-9H,6H2,1-5H3/b8-7+/t9-/m1/s1 |
| InChIKey |
XGBIOFQJXMZZAG-FCZSHJHJSA-N |
| Molecular Weight |
168.280 g/mol |
| SMILES |
C(C(=O)\C=C\[C@@](CC)(C)[H])(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963938 |
