| SpectraBase Spectrum ID |
73h2ihJygoR |
| Name |
5,5-Dimethyl-2-[alpha-(4,4-dimethyl-2-hydroxy-6-oxo-1-cyclohexen-1-yl)-2,4,5-trimethoxybenzyl]-1,3-cyclohexanedione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.230453428 u |
| Formula |
C26H34O7 |
| InChI |
InChI=1S/C26H34O7/c1-25(2)10-15(27)23(16(28)11-25)22(24-17(29)12-26(3,4)13-18(24)30)14-8-20(32-6)21(33-7)9-19(14)31-5/h8-9,22-23,29H,10-13H2,1-7H3 |
| InChIKey |
ZUGMWSQZKXBQTB-UHFFFAOYSA-N |
| Molecular Weight |
458.551 g/mol |
| SMILES |
OC1=C(C(CC(C1)(C)C)=O)C(C1C(CC(CC1=O)(C)C)=O)C=1C(=CC(=C(C1)OC)OC)OC |
| Spectrum/Structure Validation Score (Raman) |
0.968248 |
![5,5-Dimethyl-2-[alpha-(4,4-dimethyl-2-hydroxy-6-oxo-1-cyclohexen-1-yl)-2,4,5-trimethoxybenzyl]-1,3-cyclohexanedione](/api/spectrum/73h2ihJygoR/structure.png?h=300&w=458 "5,5-Dimethyl-2-[alpha-(4,4-dimethyl-2-hydroxy-6-oxo-1-cyclohexen-1-yl)-2,4,5-trimethoxybenzyl]-1,3-cyclohexanedione")
