| SpectraBase Spectrum ID |
HGOxOWR6Fkk |
| Name |
4-Iodo-3-(trifluoromethoxy)benzoic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.931373539 u |
| Formula |
C9H6F3IO3 |
| InChI |
InChI=1S/C9H6F3IO3/c1-15-8(14)5-2-3-6(13)7(4-5)16-9(10,11)12/h2-4H,1H3 |
| InChIKey |
SDQNRGSQORVSDB-UHFFFAOYSA-N |
| Molecular Weight |
346.044 g/mol |
| SMILES |
C1(I)=C(C=C(C=C1)C(=O)OC)OC(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963852 |
