| SpectraBase Spectrum ID |
iYzUwMh8US |
| Name |
1-(2,4,5-Trimethoxyphenyl)propane-1,2-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.084123546 u |
| Formula |
C12H14O5 |
| InChI |
InChI=1S/C12H14O5/c1-7(13)12(14)8-5-10(16-3)11(17-4)6-9(8)15-2/h5-6H,1-4H3 |
| InChIKey |
UUZQHDNTPXKEID-UHFFFAOYSA-N |
| Molecular Weight |
238.239 g/mol |
| SMILES |
C(C(C)=O)(=O)C=1C(=CC(=C(C1)OC)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972538 |
