SpectraBase Spectrum ID |
CgBL7dpnjOZ |
Name |
4'-Methoxy-2-methylenesuccinanilic acid |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
235.084457899 u |
Formula |
C12H13NO4 |
InChI |
InChI=1S/C12H13NO4/c1-8(12(15)16)7-11(14)13-9-3-5-10(17-2)6-4-9/h3-6H,1,7H2,2H3,(H,13,14)(H,15,16) |
InChIKey |
CUUWBACGFVIQNQ-UHFFFAOYSA-N |
Molecular Weight |
235.239 g/mol |
SMILES |
N(C1=CC=C(C=C1)OC)C(CC(C(=O)O)=C)=O |
Spectrum/Structure Validation Score (Raman) |
0.939445 |