SpectraBase Spectrum ID |
FrqMidAui0d |
Name |
1-Amino-2-(o-tolylimino-methyl)-anthraquinone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
340.121177761 u |
Formula |
C22H16N2O2 |
InChI |
InChI=1S/C22H16N2O2/c1-13-6-2-5-9-18(13)24-12-14-10-11-17-19(20(14)23)22(26)16-8-4-3-7-15(16)21(17)25/h2-12H,23H2,1H3/b24-12+ |
InChIKey |
YULOZFBIUXLNGU-WYMPLXKRSA-N |
Molecular Weight |
340.382 g/mol |
SMILES |
C1=2C(C=3C=CC=CC3C(C2C=CC(=C1N)\C=N\C=1C(C)=CC=CC1)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961174 |