| SpectraBase Compound ID | Iqz6rrNKbw7 |
|---|---|
| InChI | InChI=1S/C11H18N2OS/c1-7(2)5-6-9-8(3)12-11(15-4)13-10(9)14/h7H,5-6H2,1-4H3,(H,12,13,14) |
| InChIKey | BLSHRKCRICUPQW-UHFFFAOYSA-N |
| Mol Weight | 226.34 g/mol |
| Molecular Formula | C11H18N2OS |
| Exact Mass | 226.113984 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LhyIgxMBfGX |
|---|---|
| Name | 5-Isopentyl-6-methyl-2-(methylsulfanyl)-4-pyrimidinol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.113984381 u |
| Formula | C11H18N2OS |
| InChI | InChI=1S/C11H18N2OS/c1-7(2)5-6-9-8(3)12-11(15-4)13-10(9)14/h7H,5-6H2,1-4H3,(H,12,13,14) |
| InChIKey | BLSHRKCRICUPQW-UHFFFAOYSA-N |
| Molecular Weight | 226.338 g/mol |
| SMILES | C1(=NC(=NC(=C1CCC(C)C)C)SC)O |