![2-[(2-Chlorobenzyl)sulfanyl]-4(1H)-pyrimidinone](/api/spectrum/Hk8osyyOCqV/structure.png?h=300&w=458 "2-[(2-Chlorobenzyl)sulfanyl]-4(1H)-pyrimidinone")
| SpectraBase Compound ID | 3XeGRGbRubi |
|---|---|
| InChI | InChI=1S/C11H9ClN2OS/c12-9-4-2-1-3-8(9)7-16-11-13-6-5-10(15)14-11/h1-6H,7H2,(H,13,14,15) |
| InChIKey | LRMVCGYKVVHRCB-UHFFFAOYSA-N |
| Mol Weight | 252.72 g/mol |
| Molecular Formula | C11H9ClN2OS |
| Exact Mass | 252.012412 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hk8osyyOCqV |
|---|---|
| Name | 2-[(2-Chlorobenzyl)sulfanyl]-4(1H)-pyrimidinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.012411791 u |
| Formula | C11H9ClN2OS |
| InChI | InChI=1S/C11H9ClN2OS/c12-9-4-2-1-3-8(9)7-16-11-13-6-5-10(15)14-11/h1-6H,7H2,(H,13,14,15) |
| InChIKey | LRMVCGYKVVHRCB-UHFFFAOYSA-N |
| Molecular Weight | 252.719 g/mol |
| SMILES | C(SC1=NC(=CC=N1)O)C1=C(C=CC=C1)Cl |