| SpectraBase Spectrum ID |
BYQiP9qzqxj |
| Name |
4-Bromo-5,6-difluoro-1-N-methylbenzene-1,2-diamine, N,N'-diacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.997196926 u |
| Formula |
C11H11BrF2N2O2 |
| InChI |
InChI=1S/C11H11BrF2N2O2/c1-5(17)15-8-4-7(12)9(13)10(14)11(8)16(3)6(2)18/h4H,1-3H3,(H,15,17) |
| InChIKey |
MMUAEQLZCNZLCG-UHFFFAOYSA-N |
| Molecular Weight |
321.122 g/mol |
| SMILES |
C1(F)=C(C(=C(C=C1Br)NC(=O)C)N(C)C(=O)C)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954443 |
