| SpectraBase Spectrum ID |
EXTfDAhCiO0 |
| Name |
2-[[(2-chloro-4,5-difluorophenyl)-oxomethyl]amino]-5-iodobenzoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.928372177 u |
| Formula |
C15H9ClF2INO3 |
| InChI |
InChI=1S/C15H9ClF2INO3/c1-23-15(22)9-4-7(19)2-3-13(9)20-14(21)8-5-11(17)12(18)6-10(8)16/h2-6H,1H3,(H,20,21) |
| InChIKey |
AOFVAXRFITWGRZ-UHFFFAOYSA-N |
| Molecular Weight |
451.595 g/mol |
| SMILES |
C=1C(=CC=C(C1C(OC)=O)NC(=O)C=1C=C(C(=CC1Cl)F)F)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93739 |
![2-[[(2-chloro-4,5-difluorophenyl)-oxomethyl]amino]-5-iodobenzoic acid methyl ester](/api/spectrum/EXTfDAhCiO0/structure.png?h=300&w=458 "2-[[(2-chloro-4,5-difluorophenyl)-oxomethyl]amino]-5-iodobenzoic acid methyl ester")
