| SpectraBase Spectrum ID |
GLK2ZPWc0Sj |
| Name |
7-Bromo-1,3-dinitrophenothiazine, 5-oxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.921154474 u |
| Formula |
C12H6BrN3O5S |
| InChI |
InChI=1S/C12H6BrN3O5S/c13-6-1-2-8-10(3-6)22(21)11-5-7(15(17)18)4-9(16(19)20)12(11)14-8/h1-5,14H |
| InChIKey |
PHTBEXKVQUZPNB-UHFFFAOYSA-N |
| Molecular Weight |
384.160 g/mol |
| SMILES |
C1=CC(Br)=CC2=C1NC=1C(=CC(=CC1S2=O)N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.96047 |
