| SpectraBase Spectrum ID |
I2G1RzaHcRl |
| Name |
1,2-Benzenedicarboxylic acid, ethyl methyl 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/c1-3-15-11(13)9-7-5-4-6-8(9)10(12)14-2/h4-7H,3H2,1-2H3 |
| InChIKey |
HGERXYZHJFOFNE-UHFFFAOYSA-N |
| Molecular Weight |
208.213 g/mol |
| SMILES |
C(=O)(C=1C=CC=CC1C(OCC)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955152 |
