SpectraBase Spectrum ID |
9o6Bv04FGZr |
Name |
5,6-Dimethyl-4-acridancarboxylic acid |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
253.110278725 u |
Formula |
C16H15NO2 |
InChI |
InChI=1S/C16H15NO2/c1-9-6-7-12-8-11-4-3-5-13(16(18)19)15(11)17-14(12)10(9)2/h3-7,17H,8H2,1-2H3,(H,18,19) |
InChIKey |
LNAXSBXNNJYLEJ-UHFFFAOYSA-N |
Molecular Weight |
253.301 g/mol |
SMILES |
OC(C=1C2=C(CC=3C=CC(C)=C(C3N2)C)C=CC1)=O |
Spectrum/Structure Validation Score (Raman) |
0.988666 |