| SpectraBase Spectrum ID |
IL5wd0vmxkL |
| Name |
2-Acetyl-3-methoxy-4,5-(methylenedioxy)phenyl benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.079038165 u |
| Formula |
C17H14O6 |
| InChI |
InChI=1S/C17H14O6/c1-10(18)14-12(23-17(19)11-6-4-3-5-7-11)8-13-15(16(14)20-2)22-9-21-13/h3-8H,9H2,1-2H3 |
| InChIKey |
WGIOGXSCGNJWHN-UHFFFAOYSA-N |
| Molecular Weight |
314.293 g/mol |
| SMILES |
C(C=1C=CC=CC1)(=O)OC=1C(=C(C2=C(C1)OCO2)OC)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951396 |
