SpectraBase Spectrum ID |
J7EFlXbAvNF |
Name |
2'-Methoxy-5'-methylmaleanilic 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/c1-8-3-4-10(17-2)9(7-8)13-11(14)5-6-12(15)16/h3-7H,1-2H3,(H,13,14)(H,15,16)/b6-5- |
InChIKey |
SDPZPTWZENTROE-WAYWQWQTSA-N |
Molecular Weight |
235.239 g/mol |
SMILES |
OC(\C=C/C(NC=1C=C(C=CC1OC)C)=O)=O |
Spectrum/Structure Validation Score (Raman) |
0.841532 |