SpectraBase Spectrum ID |
HbDjfhhO5v7 |
Name |
Benzoic acid, 3-(2,3-dimethoxy-4,5-methylenedioxyphenyl)propyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
344.125988358 u |
Formula |
C19H20O6 |
InChI |
InChI=1S/C19H20O6/c1-21-16-14(11-15-17(18(16)22-2)25-12-24-15)9-6-10-23-19(20)13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10,12H2,1-2H3 |
InChIKey |
STHNKYXCDKGCJL-UHFFFAOYSA-N |
Molecular Weight |
344.363 g/mol |
SMILES |
C1(C(OCCCC2=CC3=C(C(=C2OC)OC)OCO3)=O)=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953292 |