| SpectraBase Compound ID | 2ZTxjeaW36 |
|---|---|
| InChI | InChI=1S/C15H13IN2OS/c1-10-2-4-11(5-3-10)14(19)18-15(20)17-13-8-6-12(16)7-9-13/h2-9H,1H3,(H2,17,18,19,20) |
| InChIKey | ZJOPAVKJAGIFBU-UHFFFAOYSA-N |
| Mol Weight | 396.25 g/mol |
| Molecular Formula | C15H13IN2OS |
| Exact Mass | 395.979329 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CHf7l3d3Bvt |
|---|---|
| Name | N-(4-Iodophenyl)-N'-(4-methylbenzoyl)thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 395.979329220 u |
| Formula | C15H13IN2OS |
| InChI | InChI=1S/C15H13IN2OS/c1-10-2-4-11(5-3-10)14(19)18-15(20)17-13-8-6-12(16)7-9-13/h2-9H,1H3,(H2,17,18,19,20) |
| InChIKey | ZJOPAVKJAGIFBU-UHFFFAOYSA-N |
| Molecular Weight | 396.246 g/mol |
| SMILES | C(NC=1C=CC(=CC1)I)(=S)NC(C=1C=CC(=CC1)C)=O |