| SpectraBase Spectrum ID |
GmUc45AD1jA |
| Name |
1,2-Benzenedicarboxylic acid, 4-methyl-, dimethyl ester |
| 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/c1-7-4-5-8(10(12)14-2)9(6-7)11(13)15-3/h4-6H,1-3H3 |
| InChIKey |
GICLKLDOSTVQQA-UHFFFAOYSA-N |
| Molecular Weight |
208.213 g/mol |
| SMILES |
C(OC)(=O)C1=C(C(OC)=O)C=CC(=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981644 |
