| SpectraBase Spectrum ID |
AjOxI9jZWiA |
| Name |
2-Cyclohexen-1-one, 2-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-5,5-dimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.086622104 u |
| Formula |
C16H17ClO3 |
| InChI |
InChI=1S/C16H17ClO3/c1-16(2)8-14(19)12(15(20)9-16)7-13(18)10-3-5-11(17)6-4-10/h3-6,19H,7-9H2,1-2H3 |
| InChIKey |
PCNPUPUGQVAPGB-UHFFFAOYSA-N |
| SMILES |
OC1=C(C(CC(C1)(C)C)=O)CC(C1=CC=C(C=C1)Cl)=O |
| Spectrum/Structure Validation Score (Raman) |
0.977898 |
![2-Cyclohexen-1-one, 2-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-5,5-dimethyl-](/api/spectrum/AjOxI9jZWiA/structure.png?h=300&w=458 "2-Cyclohexen-1-one, 2-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-5,5-dimethyl-")
