| SpectraBase Spectrum ID |
C6nYguQGNSo |
| Name |
1,3-Benzenediol, o-(2-bromopropionyl)-o'-(2-chloropropionyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.960749562 u |
| Formula |
C12H12BrClO4 |
| InChI |
InChI=1S/C12H12BrClO4/c1-7(13)11(15)17-9-4-3-5-10(6-9)18-12(16)8(2)14/h3-8H,1-2H3 |
| InChIKey |
IFOYMNOTJKXKME-UHFFFAOYSA-N |
| Molecular Weight |
335.581 g/mol |
| SMILES |
C1=C(C=C(C=C1)OC(C(C)Cl)=O)OC(C(C)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941695 |
