| SpectraBase Spectrum ID |
HLGWDQx7h3M |
| Name |
1,2-Benzenedicarboxylic acid, 4-amino-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
209.068807834 u |
| Formula |
C10H11NO4 |
| InChI |
InChI=1S/C10H11NO4/c1-14-9(12)7-4-3-6(11)5-8(7)10(13)15-2/h3-5H,11H2,1-2H3 |
| InChIKey |
NTBHQNDXAJXRPU-UHFFFAOYSA-N |
| Molecular Weight |
209.201 g/mol |
| SMILES |
C1(=C(C=CC(=C1)N)C(OC)=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.986384 |
