![1-(Tert-butylamino)-2-methyl-1-oxopropan-2-yl 2-([4-oxo-6-propyl-1,4-dihydropyrimidin-2-yl]thio)-2-phenylacetate](/api/spectrum/3Vjq02ml0a/structure.png?h=300&w=458 "1-(Tert-butylamino)-2-methyl-1-oxopropan-2-yl 2-([4-oxo-6-propyl-1,4-dihydropyrimidin-2-yl]thio)-2-phenylacetate")
| SpectraBase Compound ID | 45JJd3VXbsw |
|---|---|
| InChI | InChI=1S/C23H31N3O4S/c1-7-11-16-14-17(27)25-21(24-16)31-18(15-12-9-8-10-13-15)19(28)30-23(5,6)20(29)26-22(2,3)4/h8-10,12-14,18H,7,11H2,1-6H3,(H,26,29)(H,24,25,27) |
| InChIKey | VSBDTHXRLLEXQF-UHFFFAOYSA-N |
| Mol Weight | 445.58 g/mol |
| Molecular Formula | C23H31N3O4S |
| Exact Mass | 445.203528 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3Vjq02ml0a |
|---|---|
| Name | 1-(Tert-butylamino)-2-methyl-1-oxopropan-2-yl 2-([4-oxo-6-propyl-1,4-dihydropyrimidin-2-yl]thio)-2-phenylacetate |
| Appearance | White crystals |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H31N3O4S |
| InChI | InChI=1S/C23H31N3O4S/c1-7-11-16-14-17(27)25-21(24-16)31-18(15-12-9-8-10-13-15)19(28)30-23(5,6)20(29)26-22(2,3)4/h8-10,12-14,18H,7,11H2,1-6H3,(H,26,29)(H,24,25,27) |
| InChIKey | VSBDTHXRLLEXQF-UHFFFAOYSA-N |
| Instrument Name | Finnigan MAT-8430 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/jccs.201800209 |
| Molecular Weight | 445.578 g/mol |
| SMILES | N1C(SC(C(OC(C(=O)NC(C)(C)C)(C)C)=O)c2ccccc2)=NC(=O)C=C1CCC |
| SPLASH | splash10-059i-9661000000-60ae50654e88f78fdfd0 |
| Source of Spectrum | QA-66-SM6-5h |
| Wiley ID | 1838606 |