| SpectraBase Spectrum ID |
KUrqNgvcnk |
| Name |
1,2-Benzenediol, o-di(2-bromopropionyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
377.910234862 u |
| Formula |
C12H12Br2O4 |
| InChI |
InChI=1S/C12H12Br2O4/c1-7(13)11(15)17-9-5-3-4-6-10(9)18-12(16)8(2)14/h3-8H,1-2H3 |
| InChIKey |
VPLKAHNKDLFQRF-UHFFFAOYSA-N |
| Molecular Weight |
380.032 g/mol |
| SMILES |
CC(C(=O)OC1=CC=CC=C1OC(C(C)Br)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904173 |
