| SpectraBase Spectrum ID |
8JJVaJ5Wxpl |
| Name |
4-[2'-Bromo-3'-[(2'',2'',2''-trifluoro-1''-ethoxy)propen-1'-yl]-1,2-dimethoxybenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.995226254 u |
| Formula |
C14H13BrF6O3 |
| InChI |
InChI=1S/C14H13BrF6O3/c1-22-10-4-3-8(6-11(10)23-2)5-9(15)7-24-12(13(16,17)18)14(19,20)21/h3-6,12H,7H2,1-2H3/b9-5- |
| InChIKey |
NWIVIILCXAGOMK-UITAMQMPSA-N |
| Molecular Weight |
423.149 g/mol |
| SMILES |
C(C(F)(F)F)(C(F)(F)F)OC\C(=C\C=1C=C(OC)C(=CC1)OC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912956 |
![4-[2'-Bromo-3'-[(2",2",2"-trifluoro-1''-<trifluoromethyl>ethoxy)propen-1'-yl]-1,2-dimethoxybenzene](/api/spectrum/8JJVaJ5Wxpl/structure.png?h=300&w=458 "4-[2'-Bromo-3'-[(2\",2\",2\"-trifluoro-1''-<trifluoromethyl>ethoxy)propen-1'-yl]-1,2-dimethoxybenzene")
