| SpectraBase Spectrum ID |
HXiurBFSy9U |
| Name |
2-(2-Iodo-benzoylamino)-terephthalic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.991667550 u |
| Formula |
C17H14INO5 |
| InChI |
InChI=1S/C17H14INO5/c1-23-16(21)10-7-8-12(17(22)24-2)14(9-10)19-15(20)11-5-3-4-6-13(11)18/h3-9H,1-2H3,(H,19,20) |
| InChIKey |
LWNWPPXBZGURIM-UHFFFAOYSA-N |
| Molecular Weight |
439.205 g/mol |
| SMILES |
C1(=C(C=CC(=C1)C(OC)=O)C(OC)=O)NC(C1=C(C=CC=C1)I)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955432 |
