![2-[(4-hydroxy-2-pyrimidinyl)sulfanyl]-N-(4-iodophenyl)acetamide](/api/spectrum/5Ci2Lda7pG5/structure.png?h=300&w=458 "2-[(4-hydroxy-2-pyrimidinyl)sulfanyl]-N-(4-iodophenyl)acetamide")
| SpectraBase Compound ID | JGoF1rjdRHg |
|---|---|
| InChI | InChI=1S/C12H10IN3O2S/c13-8-1-3-9(4-2-8)15-11(18)7-19-12-14-6-5-10(17)16-12/h1-6H,7H2,(H,15,18)(H,14,16,17) |
| InChIKey | XKOCGJILECAIPW-UHFFFAOYSA-N |
| Mol Weight | 387.2 g/mol |
| Molecular Formula | C12H10IN3O2S |
| Exact Mass | 386.953843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Ci2Lda7pG5 |
|---|---|
| Name | 2-[(4-Hydroxy-2-pyrimidinyl)sulfanyl]-N-(4-iodophenyl)acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.953842746 u |
| Formula | C12H10IN3O2S |
| InChI | InChI=1S/C12H10IN3O2S/c13-8-1-3-9(4-2-8)15-11(18)7-19-12-14-6-5-10(17)16-12/h1-6H,7H2,(H,15,18)(H,14,16,17) |
| InChIKey | XKOCGJILECAIPW-UHFFFAOYSA-N |
| Molecular Weight | 387.195 g/mol |
| SMILES | N(C(CSC=1N=C(C=CN1)O)=O)C=1C=CC(=CC1)I |