| SpectraBase Spectrum ID |
KPh5uw6Kc5l |
| Name |
N-(11-Bromo-9-methyl-5-oxo-5H-benzo[A]phenothiazin-6-yl)acetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
411.988111839 u |
| Formula |
C19H13BrN2O2S |
| InChI |
InChI=1S/C19H13BrN2O2S/c1-9-7-13(20)16-14(8-9)25-19-15(22-16)11-5-3-4-6-12(11)18(24)17(19)21-10(2)23/h3-8H,1-2H3,(H,21,23) |
| InChIKey |
SGIRGTCQNIWHCL-UHFFFAOYSA-N |
| Molecular Weight |
413.289 g/mol |
| SMILES |
N(C1=C2C(C=3C=CC=CC3C1=O)=NC=1C(Br)=CC(C)=CC1S2)C(C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.962343 |
![N-(11-Bromo-9-methyl-5-oxo-5H-benzo[A]phenothiazin-6-yl)acetamide](/api/spectrum/KPh5uw6Kc5l/structure.png?h=300&w=458 "N-(11-Bromo-9-methyl-5-oxo-5H-benzo[A]phenothiazin-6-yl)acetamide")
