| SpectraBase Spectrum ID |
G7i85OGbXul |
| Name |
1-(2,4,6-Trimethoxyphenyl)butane-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.099773610 u |
| Formula |
C13H16O5 |
| InChI |
InChI=1S/C13H16O5/c1-8(14)5-10(15)13-11(17-3)6-9(16-2)7-12(13)18-4/h6-7H,5H2,1-4H3 |
| InChIKey |
ZYRBXTNFHYZHSK-UHFFFAOYSA-N |
| Molecular Weight |
252.266 g/mol |
| SMILES |
C=1(C(CC(=O)C)=O)C(=CC(=CC1OC)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901729 |
