SpectraBase Spectrum ID |
7DK8kOt8wvv |
Name |
2',6'-Dimethylphthalanilic acid |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
269.105193344 u |
Formula |
C16H15NO3 |
InChI |
InChI=1S/C16H15NO3/c1-10-6-5-7-11(2)14(10)17-15(18)12-8-3-4-9-13(12)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20) |
InChIKey |
LLECMGGNFBKPRH-UHFFFAOYSA-N |
Molecular Weight |
269.300 g/mol |
SMILES |
N(C(C1=C(C(O)=O)C=CC=C1)=O)C=1C(=CC=CC1C)C |
Spectrum/Structure Validation Score (Raman) |
0.93123 |