SpectraBase Spectrum ID |
JPgOmmk0YP0 |
Name |
6-Anilino-9-ethoxy-5H-benzo[A]phenothiazin-5-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
398.108899000 u |
Formula |
C24H18N2O2S |
InChI |
InChI=1S/C24H18N2O2S/c1-2-28-16-12-13-19-20(14-16)29-24-21(26-19)17-10-6-7-11-18(17)23(27)22(24)25-15-8-4-3-5-9-15/h3-14,25H,2H2,1H3 |
InChIKey |
QKNLAZAGBUUACN-UHFFFAOYSA-N |
Molecular Weight |
398.480 g/mol |
SMILES |
N(C1=C2C(C=3C=CC=CC3C1=O)=NC=1C=CC(=CC1S2)OCC)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Raman) |
0.881968 |