SpectraBase Compound ID | 2xrzeOdoeHZ |
---|---|
InChI | InChI=1S/C8H6F2INO/c1-4(13)12-5-2-6(9)8(11)7(10)3-5/h2-3H,1H3,(H,12,13) |
InChIKey | BNHPMNGLQXKZHB-UHFFFAOYSA-N |
Mol Weight | 297.04 g/mol |
Molecular Formula | C8H6F2INO |
Exact Mass | 296.946215 g/mol |
SpectraBase Spectrum ID | O6kZZ3SikK |
---|---|
Name | N-(3,5-Difluoro-4-iodophenyl)acetamide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 296.946215142 u |
Formula | C8H6F2INO |
InChI | InChI=1S/C8H6F2INO/c1-4(13)12-5-2-6(9)8(11)7(10)3-5/h2-3H,1H3,(H,12,13) |
InChIKey | BNHPMNGLQXKZHB-UHFFFAOYSA-N |
Molecular Weight | 297.043 g/mol |
SMILES | C1(NC(C)=O)=CC(=C(C(=C1)F)I)F |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954151 |