![4'-chloro-2-[(4-hydroxy-5-isopentyl-6-methyl-2-pyrimidinyl)thio]acetophenone](/api/spectrum/7wuSKsE2jeY/structure.png?h=300&w=458 "4'-chloro-2-[(4-hydroxy-5-isopentyl-6-methyl-2-pyrimidinyl)thio]acetophenone")
| SpectraBase Compound ID | HeBBwC3WBfE |
|---|---|
| InChI | InChI=1S/C18H21ClN2O2S/c1-11(2)4-9-15-12(3)20-18(21-17(15)23)24-10-16(22)13-5-7-14(19)8-6-13/h5-8,11H,4,9-10H2,1-3H3,(H,20,21,23) |
| InChIKey | KVCAWVYRZLEJJV-UHFFFAOYSA-N |
| Mol Weight | 364.89 g/mol |
| Molecular Formula | C18H21ClN2O2S |
| Exact Mass | 364.101227 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7wuSKsE2jeY |
|---|---|
| Name | 4'-chloro-2-[(4-hydroxy-5-isopentyl-6-methyl-2-pyrimidinyl)thio]acetophenone |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H21ClN2O2S |
| InChI | InChI=1S/C18H21ClN2O2S/c1-11(2)4-9-15-12(3)20-18(21-17(15)23)24-10-16(22)13-5-7-14(19)8-6-13/h5-8,11H,4,9-10H2,1-3H3,(H,20,21,23) |
| InChIKey | KVCAWVYRZLEJJV-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 46878M |
| Solvent | DMSO-d6 |