| SpectraBase Spectrum ID |
B9UQvTC2hxc |
| Name |
1-(4,7-Dimethoxy-2H-1,3-benzodioxol-5-yl)propan-1-one |
| 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/c1-4-8(13)7-5-9(14-2)11-12(10(7)15-3)17-6-16-11/h5H,4,6H2,1-3H3 |
| InChIKey |
ULIALFNCJGGZBT-UHFFFAOYSA-N |
| Molecular Weight |
238.239 g/mol |
| SMILES |
C12=C(C(=C(C=C2OC)C(CC)=O)OC)OCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896809 |
