| SpectraBase Spectrum ID |
7yiDyzy51UB |
| Name |
2,2-Dibromo-1-(3,4-methylenedioxyphenyl)ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.868370050 u |
| Formula |
C9H6Br2O3 |
| InChI |
InChI=1S/C9H6Br2O3/c10-9(11)8(12)5-1-2-6-7(3-5)14-4-13-6/h1-3,9H,4H2 |
| InChIKey |
LSCBWWHYKHBDSF-UHFFFAOYSA-N |
| Molecular Weight |
321.952 g/mol |
| SMILES |
C1=2C(=CC=C(C(C(Br)Br)=O)C2)OCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82577 |
