| SpectraBase Spectrum ID |
B26HctjITY0 |
| Name |
1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-3-oxopropyl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.125988358 u |
| Formula |
C20H20O6 |
| InChI |
InChI=1S/C20H20O6/c1-13(21)26-17(9-14-3-8-19-20(10-14)25-12-24-19)11-18(22)15-4-6-16(23-2)7-5-15/h3-8,10,17H,9,11-12H2,1-2H3 |
| InChIKey |
QTUSYDJPYSTDLC-UHFFFAOYSA-N |
| Molecular Weight |
356.374 g/mol |
| SMILES |
C1(=CC=C(C=C1)OC)C(CC(OC(C)=O)CC=1C=CC2=C(C1)OCO2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952844 |
