| SpectraBase Spectrum ID |
5uBlC5VBkSK |
| Name |
(E)-3-Methyl-5-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)pent-2-en-1-yl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.188194694 u |
| Formula |
C17H26O3 |
| InChI |
InChI=1S/C17H26O3/c1-12(8-9-20-14(3)18)6-7-16-13(2)10-15(19)11-17(16,4)5/h8,10,16H,6-7,9,11H2,1-5H3/b12-8+ |
| InChIKey |
ZZLGBBVNDGZTNM-XYOKQWHBSA-N |
| Molecular Weight |
278.392 g/mol |
| SMILES |
C1(CC(C(C(=C1)C)CC\C(=C\COC(C)=O)C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916263 |
