| SpectraBase Spectrum ID |
82RlfiSQwo7 |
| Name |
4-[(E)-1,2-Difluoro-2-iodo-vinyl]benzoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
337.961530854 u |
| Formula |
C11H9F2IO2 |
| InChI |
InChI=1S/C11H9F2IO2/c1-2-16-11(15)8-5-3-7(4-6-8)9(12)10(13)14/h3-6H,2H2,1H3/b10-9+ |
| InChIKey |
VFLLTEOFXXWLBZ-MDZDMXLPSA-N |
| Molecular Weight |
338.092 g/mol |
| SMILES |
C=1(\C(=C/(I)F)F)C=CC(C(=O)OCC)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876814 |
![4-[(E)-1,2-difluoro-2-iodo-vinyl]benzoic acid ethyl ester](/api/spectrum/82RlfiSQwo7/structure.png?h=300&w=458 "4-[(E)-1,2-difluoro-2-iodo-vinyl]benzoic acid ethyl ester")
