| SpectraBase Spectrum ID |
AdgP9sB0GpU |
| Name |
1-(2,6-Dibromo-3,4,5-trimethoxyphenyl)ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
365.910234862 u |
| Formula |
C11H12Br2O4 |
| InChI |
InChI=1S/C11H12Br2O4/c1-5(14)6-7(12)9(15-2)11(17-4)10(16-3)8(6)13/h1-4H3 |
| InChIKey |
ZZKQPBDZJRWGML-UHFFFAOYSA-N |
| Molecular Weight |
368.021 g/mol |
| SMILES |
C1(=C(C(=C(C(=C1OC)Br)C(C)=O)Br)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949225 |
