| SpectraBase Spectrum ID |
KiFNjMVhl3p |
| Name |
2-[.alpha.-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)benzyl]-5,5-dimethyl-1,3-cyclohexanedione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.198759378 u |
| Formula |
C23H28O4 |
| InChI |
InChI=1S/C23H28O4/c1-22(2)10-15(24)20(16(25)11-22)19(14-8-6-5-7-9-14)21-17(26)12-23(3,4)13-18(21)27/h5-9,19-20,26H,10-13H2,1-4H3 |
| InChIKey |
GVCHLMRZZGMMSD-UHFFFAOYSA-N |
| Molecular Weight |
368.473 g/mol |
| SMILES |
C1=CC(=CC=C1)C(C1C(CC(CC1=O)(C)C)=O)C=1C(CC(CC1O)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93002 |
![2-[.alpha.-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)benzyl]-5,5-dimethyl-1,3-cyclohexanedione](/api/spectrum/KiFNjMVhl3p/structure.png?h=300&w=458 "2-[.alpha.-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)benzyl]-5,5-dimethyl-1,3-cyclohexanedione")
