| SpectraBase Spectrum ID |
KfKUaO8u1Lw |
| Name |
1-(3,4-Methylenedioxyphenyl)-1-methoxypropan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.073558862 u |
| Formula |
C11H12O4 |
| InChI |
InChI=1S/C11H12O4/c1-7(12)11(13-2)8-3-4-9-10(5-8)15-6-14-9/h3-5,11H,6H2,1-2H3 |
| InChIKey |
VETFAJGMROKZBZ-UHFFFAOYSA-N |
| Molecular Weight |
208.213 g/mol |
| SMILES |
C(C(C)=O)(OC)C1=CC2=C(C=C1)OCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978069 |
