| SpectraBase Spectrum ID |
IuKsML4NAH4 |
| Name |
9-Chloro-6-(p-toluidino)-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 |
402.059361984 u |
| Formula |
C23H15ClN2OS |
| InChI |
InChI=1S/C23H15ClN2OS/c1-13-6-9-15(10-7-13)25-21-22(27)17-5-3-2-4-16(17)20-23(21)28-19-12-14(24)8-11-18(19)26-20/h2-12,25H,1H3 |
| InChIKey |
GMDBDUPENRWPBH-UHFFFAOYSA-N |
| Molecular Weight |
402.899 g/mol |
| SMILES |
N(C=1C(C=2C=CC=CC2C2=NC=3C=CC(=CC3SC12)Cl)=O)C=1C=CC(=CC1)C |
| Spectrum/Structure Validation Score (Raman) |
0.910699 |
![9-chloro-6-(p-toluidino)-5H-benzo[a]phenothiazin-5-one](/api/spectrum/IuKsML4NAH4/structure.png?h=300&w=458 "9-chloro-6-(p-toluidino)-5H-benzo[a]phenothiazin-5-one")
