| SpectraBase Spectrum ID |
DiJkvA6J51D |
| Name |
2-Cyclohexen-1-one, 3-hydroxy-5,5-dimethyl-2-(1-oxopentyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.141244501 u |
| Formula |
C13H20O3 |
| InChI |
InChI=1S/C13H20O3/c1-4-5-6-9(14)12-10(15)7-13(2,3)8-11(12)16/h15H,4-8H2,1-3H3 |
| InChIKey |
LBMIPCXXUGVZOO-UHFFFAOYSA-N |
| Molecular Weight |
224.300 g/mol |
| SMILES |
OC1=C(C(CC(C1)(C)C)=O)C(CCCC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.899616 |
