![1-[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]-2-(methylthio)-1,4,5,6-tetrahydropyrimidine](/api/spectrum/HQxsdM4ajAc/structure.png?h=300&w=458 "1-[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]-2-(methylthio)-1,4,5,6-tetrahydropyrimidine")
| SpectraBase Compound ID | 1peVg9pZYwJ |
|---|---|
| InChI | InChI=1S/C16H17N3O2S/c1-11-13(14(18-21-11)12-7-4-3-5-8-12)15(20)19-10-6-9-17-16(19)22-2/h3-5,7-8H,6,9-10H2,1-2H3 |
| InChIKey | OEQUYPSTGFYREQ-UHFFFAOYSA-N |
| Mol Weight | 315.39 g/mol |
| Molecular Formula | C16H17N3O2S |
| Exact Mass | 315.104148 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HQxsdM4ajAc |
|---|---|
| Name | 1-[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]-2-(methylthio)-1,4,5,6-tetrahydropyrimidine |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H17N3O2S |
| InChI | InChI=1S/C16H17N3O2S/c1-11-13(14(18-21-11)12-7-4-3-5-8-12)15(20)19-10-6-9-17-16(19)22-2/h3-5,7-8H,6,9-10H2,1-2H3 |
| InChIKey | OEQUYPSTGFYREQ-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 46539M |
| Solvent | CDCl3 |