| SpectraBase Spectrum ID |
AxxdCiDAsKB |
| Name |
2-Bromo-4,5,7-trinitro-10H-acridin-9-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
407.934161510 u |
| Formula |
C13H5BrN4O7 |
| InChI |
InChI=1S/C13H5BrN4O7/c14-5-1-7-11(9(2-5)17(22)23)15-12-8(13(7)19)3-6(16(20)21)4-10(12)18(24)25/h1-4H,(H,15,19) |
| InChIKey |
SLPXRFSSQNVOOK-UHFFFAOYSA-N |
| Molecular Weight |
409.108 g/mol |
| SMILES |
C1(N(=O)=O)=C2NC3=C(N(=O)=O)C=C(N(=O)=O)C=C3C(C2=CC(=C1)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96405 |
