SpectraBase Spectrum ID |
7dyRapsU5wC |
Name |
7-Ethoxy-1,2,4-trichloro-3H-phenothiazin-3-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
358.934132774 u |
Formula |
C14H8Cl3NO2S |
InChI |
InChI=1S/C14H8Cl3NO2S/c1-2-20-6-3-4-7-8(5-6)21-14-11(17)13(19)10(16)9(15)12(14)18-7/h3-5H,2H2,1H3 |
InChIKey |
CTOMKLRESGAGLB-UHFFFAOYSA-N |
Molecular Weight |
360.642 g/mol |
SMILES |
C1=CC(=CC2=C1N=C1C(Cl)=C(Cl)C(=O)C(=C1S2)Cl)OCC |
Spectrum/Structure Validation Score (Raman) |
0.916602 |