![3-Chloro-benzo[b]thiophene-2-carboxylic acid (2-iodo-phenyl)-amide](/api/spectrum/I1kf48ayyQQ/structure.png?h=300&w=458 "3-Chloro-benzo[b]thiophene-2-carboxylic acid (2-iodo-phenyl)-amide")
| SpectraBase Compound ID | 3EWv8O4IWMj |
|---|---|
| InChI | InChI=1S/C15H9ClINOS/c16-13-9-5-1-4-8-12(9)20-14(13)15(19)18-11-7-3-2-6-10(11)17/h1-8H,(H,18,19) |
| InChIKey | LFTTUFGQRJQDGZ-UHFFFAOYSA-N |
| Mol Weight | 413.66 g/mol |
| Molecular Formula | C15H9ClINOS |
| Exact Mass | 412.913808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I1kf48ayyQQ |
|---|---|
| Name | 3-Chloro-benzo[B]thiophene-2-carboxylic acid (2-iodo-phenyl)-amide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.913807787 u |
| Formula | C15H9ClINOS |
| InChI | InChI=1S/C15H9ClINOS/c16-13-9-5-1-4-8-12(9)20-14(13)15(19)18-11-7-3-2-6-10(11)17/h1-8H,(H,18,19) |
| InChIKey | LFTTUFGQRJQDGZ-UHFFFAOYSA-N |
| Molecular Weight | 413.660 g/mol |
| SMILES | C12=C(C(Cl)=C(S2)C(NC2=C(C=CC=C2)I)=O)C=CC=C1 |