![1-{[3-(o-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-2-(methylthio)-1,4,5,6-tetrahydropyrimidine](/api/spectrum/HVw3knM8sHn/structure.png?h=300&w=458 "1-{[3-(o-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-2-(methylthio)-1,4,5,6-tetrahydropyrimidine")
| SpectraBase Compound ID | I9M5uymQp90 |
|---|---|
| InChI | InChI=1S/C16H16ClN3O2S/c1-10-13(15(21)20-9-5-8-18-16(20)23-2)14(19-22-10)11-6-3-4-7-12(11)17/h3-4,6-7H,5,8-9H2,1-2H3 |
| InChIKey | GTVQLFUTUIBSSP-UHFFFAOYSA-N |
| Mol Weight | 349.84 g/mol |
| Molecular Formula | C16H16ClN3O2S |
| Exact Mass | 349.065176 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HVw3knM8sHn |
|---|---|
| Name | 1-{[3-(o-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-2-(methylthio)-1,4,5,6-tetrahydropyrimidine |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H16ClN3O2S |
| InChI | InChI=1S/C16H16ClN3O2S/c1-10-13(15(21)20-9-5-8-18-16(20)23-2)14(19-22-10)11-6-3-4-7-12(11)17/h3-4,6-7H,5,8-9H2,1-2H3 |
| InChIKey | GTVQLFUTUIBSSP-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 46540M |
| Solvent | CDCl3 |