| SpectraBase Spectrum ID |
9TBHTGJKWuo |
| Name |
Methyl benzoate, 2-carboxylic acid-3,4-dimethoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.063388100 u |
| Formula |
C11H12O6 |
| InChI |
InChI=1S/C11H12O6/c1-15-7-5-4-6(11(14)17-3)8(10(12)13)9(7)16-2/h4-5H,1-3H3,(H,12,13) |
| InChIKey |
ALRMUZZBNPBWHA-UHFFFAOYSA-N |
| Molecular Weight |
240.211 g/mol |
| SMILES |
C1(=C(C=CC(=C1OC)OC)C(OC)=O)C(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873784 |
