![4'-chloro-2-[(4-hydroxy-5-isopentyl-6-methyl-2-pyrimidinyl)thio]acetophenone, dimethylcarbamate (ester)](/api/spectrum/9aSWFooM6Dt/structure.png?h=300&w=458 "4'-chloro-2-[(4-hydroxy-5-isopentyl-6-methyl-2-pyrimidinyl)thio]acetophenone, dimethylcarbamate (ester)")
| SpectraBase Compound ID | Dz4NUFvjjUQ |
|---|---|
| InChI | InChI=1S/C21H26ClN3O3S/c1-13(2)6-11-17-14(3)23-20(24-19(17)28-21(27)25(4)5)29-12-18(26)15-7-9-16(22)10-8-15/h7-10,13H,6,11-12H2,1-5H3 |
| InChIKey | ICVOXWRPSMOCJL-UHFFFAOYSA-N |
| Mol Weight | 435.97 g/mol |
| Molecular Formula | C21H26ClN3O3S |
| Exact Mass | 435.138341 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9aSWFooM6Dt |
|---|---|
| Name | 4'-chloro-2-[(4-hydroxy-5-isopentyl-6-methyl-2-pyrimidinyl)thio]acetophenone, dimethylcarbamate (ester) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H26ClN3O3S |
| InChI | InChI=1S/C21H26ClN3O3S/c1-13(2)6-11-17-14(3)23-20(24-19(17)28-21(27)25(4)5)29-12-18(26)15-7-9-16(22)10-8-15/h7-10,13H,6,11-12H2,1-5H3 |
| InChIKey | ICVOXWRPSMOCJL-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 46879M |
| Solvent | CDCl3 |