| SpectraBase Spectrum ID |
18dKwLmFkx6 |
| Name |
5-Bromo-1-methyl-4,6-dinitroindoline-2,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.928347855 u |
| Formula |
C9H4BrN3O6 |
| InChI |
InChI=1S/C9H4BrN3O6/c1-11-3-2-4(12(16)17)6(10)7(13(18)19)5(3)8(14)9(11)15/h2H,1H3 |
| InChIKey |
QWMVMIXAOPGVQP-UHFFFAOYSA-N |
| Molecular Weight |
330.050 g/mol |
| SMILES |
C1(Br)=C(C2=C(C=C1[N+](=O)[O-])N(C(C2=O)=O)C)[N+]([O-])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982655 |
