| SpectraBase Spectrum ID |
GNo068UpugQ |
| Name |
10-Ethyl-3-chloro-7-acetylamino-8-nitro-phenothiazine-5-oxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.039354813 u |
| Formula |
C16H14ClN3O4S |
| InChI |
InChI=1S/C16H14ClN3O4S/c1-3-19-12-5-4-10(17)6-15(12)25(24)16-7-11(18-9(2)21)13(20(22)23)8-14(16)19/h4-8H,3H2,1-2H3,(H,18,21) |
| InChIKey |
CNPMAEIUFUJEJN-UHFFFAOYSA-N |
| Molecular Weight |
379.818 g/mol |
| SMILES |
C1(=C(C=C2C(=C1)S(C=1C(N2CC)=CC=C(C1)Cl)=O)N(=O)=O)NC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955881 |
