| SpectraBase Spectrum ID |
LkfYqm5yaRT |
| Name |
2-[.alpha.-(2-Hydroxy-4,4-dimethyl-5-oxo-1-cyclohexen-1-yl)veratryl]-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 |
428.219888744 u |
| Formula |
C25H32O6 |
| InChI |
InChI=1S/C25H32O6/c1-24(2)11-17(27)23(18(28)12-24)22(14-7-8-19(30-5)20(9-14)31-6)15-10-21(29)25(3,4)13-16(15)26/h7-9,22-23,26H,10-13H2,1-6H3 |
| InChIKey |
GSRWXEKCQFLAQO-UHFFFAOYSA-N |
| Molecular Weight |
428.525 g/mol |
| SMILES |
C1=C(C(=CC=C1C(C1=C(CC(C)(C)C(C1)=O)O)C1C(CC(CC1=O)(C)C)=O)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.81537 |
![2-[.alpha.-(2-Hydroxy-4,4-dimethyl-5-oxo-1-cyclohexen-1-yl)veratryl]-5,5-dimethyl-1,3-cyclohexanedione](/api/spectrum/LkfYqm5yaRT/structure.png?h=300&w=458 "2-[.alpha.-(2-Hydroxy-4,4-dimethyl-5-oxo-1-cyclohexen-1-yl)veratryl]-5,5-dimethyl-1,3-cyclohexanedione")
