| SpectraBase Spectrum ID |
3dkLD1HKEvy |
| Name |
5-(2,4-Dimethoxyphenyl)cyclohexane-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.104858991 u |
| Formula |
C14H16O4 |
| InChI |
InChI=1S/C14H16O4/c1-17-12-3-4-13(14(8-12)18-2)9-5-10(15)7-11(16)6-9/h3-4,8-9H,5-7H2,1-2H3 |
| InChIKey |
WKGWEOJDFAPKEP-UHFFFAOYSA-N |
| Molecular Weight |
248.278 g/mol |
| SMILES |
C1(C2=C(C=C(C=C2)OC)OC)CC(=O)CC(C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915281 |
