| SpectraBase Spectrum ID |
2kgHWZMPQma |
| Name |
2-[4-Hydroxy-.alpha.-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)-3-methoxybenzyl]-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 |
414.204238680 u |
| Formula |
C24H30O6 |
| InChI |
InChI=1S/C24H30O6/c1-23(2)9-15(26)21(16(27)10-23)20(13-6-7-14(25)19(8-13)30-5)22-17(28)11-24(3,4)12-18(22)29/h6-8,20-21,25,28H,9-12H2,1-5H3 |
| InChIKey |
LOUBSQZNMGONGE-UHFFFAOYSA-N |
| Molecular Weight |
414.498 g/mol |
| SMILES |
C1=CC(=CC(=C1O)OC)C(C1C(CC(CC1=O)(C)C)=O)C=1C(CC(CC1O)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92187 |
![2-[4-Hydroxy-.alpha.-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)-3-methoxybenzyl]-5,5-dimethyl-1,3-cyclohexanedione](/api/spectrum/2kgHWZMPQma/structure.png?h=300&w=458 "2-[4-Hydroxy-.alpha.-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)-3-methoxybenzyl]-5,5-dimethyl-1,3-cyclohexanedione")
