| SpectraBase Spectrum ID |
8kKwK4XHKTf |
| Name |
3-(1-Hydroxy-3-butenyl)-2,4,4-trimethyl-2-cyclohexen-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.146329882 u |
| Formula |
C13H20O2 |
| InChI |
InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)10(14)7-8-13(12,3)4/h5,11,15H,1,6-8H2,2-4H3 |
| InChIKey |
VFIRXHIBCGFGTE-UHFFFAOYSA-N |
| Molecular Weight |
208.301 g/mol |
| SMILES |
OC(C1=C(C(CCC1(C)C)=O)C)CC=C |
| Spectrum/Structure Validation Score (Raman) |
0.804508 |
