![1-([2,6-Dimethylphenyl]amino)-2-methyl-1-oxopropan-2-yl 2-([4-oxo-6-propyl-1,4-dihydropyrimidin-2-yl]thio)acetate](/api/spectrum/JHLggxfPbFH/structure.png?h=300&w=458 "1-([2,6-Dimethylphenyl]amino)-2-methyl-1-oxopropan-2-yl 2-([4-oxo-6-propyl-1,4-dihydropyrimidin-2-yl]thio)acetate")
| SpectraBase Compound ID | Lk3BY3PGUBa |
|---|---|
| InChI | InChI=1S/C21H27N3O4S/c1-6-8-15-11-16(25)23-20(22-15)29-12-17(26)28-21(4,5)19(27)24-18-13(2)9-7-10-14(18)3/h7,9-11H,6,8,12H2,1-5H3,(H,24,27)(H,22,23,25) |
| InChIKey | AXTYYQZOGKMAFW-UHFFFAOYSA-N |
| Mol Weight | 417.52 g/mol |
| Molecular Formula | C21H27N3O4S |
| Exact Mass | 417.172228 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JHLggxfPbFH |
|---|---|
| Name | 1-([2,6-Dimethylphenyl]amino)-2-methyl-1-oxopropan-2-yl 2-([4-oxo-6-propyl-1,4-dihydropyrimidin-2-yl]thio)acetate |
| Appearance | White crystals |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H27N3O4S |
| InChI | InChI=1S/C21H27N3O4S/c1-6-8-15-11-16(25)23-20(22-15)29-12-17(26)28-21(4,5)19(27)24-18-13(2)9-7-10-14(18)3/h7,9-11H,6,8,12H2,1-5H3,(H,24,27)(H,22,23,25) |
| InChIKey | AXTYYQZOGKMAFW-UHFFFAOYSA-N |
| Instrument Name | Finnigan MAT-8430 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/jccs.201800209 |
| Molecular Weight | 417.524 g/mol |
| SMILES | N1C(SCC(OC(C(=O)Nc2c(cccc2C)C)(C)C)=O)=NC(=O)C=C1CCC |
| SPLASH | splash10-08gi-0930000000-e73c4b6a4913b927d40c |
| Source of Spectrum | QA-66-1380-5l |
| Wiley ID | 1838605 |