| SpectraBase Spectrum ID |
1IoZDlKQOqz |
| Name |
4-Acetylaminophthalic acid, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.079372518 u |
| Formula |
C12H13NO5 |
| InChI |
InChI=1S/C12H13NO5/c1-7(14)13-8-4-5-9(11(15)17-2)10(6-8)12(16)18-3/h4-6H,1-3H3,(H,13,14) |
| InChIKey |
FUPKFTOOAAIVAJ-UHFFFAOYSA-N |
| Molecular Weight |
251.238 g/mol |
| SMILES |
C1(=C(C=CC(=C1)NC(C)=O)C(OC)=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.990527 |
