| SpectraBase Compound ID | CsZnwkuaMP5 |
|---|---|
| InChI | InChI=1S/C14H11IN2OS2/c15-10-3-5-11(6-4-10)16-14(19)17-13(18)8-7-12-2-1-9-20-12/h1-9H,(H2,16,17,18,19)/b8-7+ |
| InChIKey | KNQLZDNORRYQIP-BQYQJAHWSA-N |
| Mol Weight | 414.28 g/mol |
| Molecular Formula | C14H11IN2OS2 |
| Exact Mass | 413.93575 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DZG9kaedIfv |
|---|---|
| Name | 1-(4-Iodo-phenyl)-3-(3-thiophen-2-yl-acryloyl)-thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 413.935750329 u |
| Formula | C14H11IN2OS2 |
| InChI | InChI=1S/C14H11IN2OS2/c15-10-3-5-11(6-4-10)16-14(19)17-13(18)8-7-12-2-1-9-20-12/h1-9H,(H2,16,17,18,19)/b8-7+ |
| InChIKey | KNQLZDNORRYQIP-BQYQJAHWSA-N |
| Molecular Weight | 414.279 g/mol |
| SMILES | C1(NC(NC(\C=C\C=2SC=CC2)=O)=S)=CC=C(C=C1)I |