![3-(Cyclohexylcarbamoyl)pentan-3-yl 2-([4-oxo-6-propyl-1,4-dihydropyrimidin-2-yl]thio)acetate](/api/spectrum/5hQ78nypDdH/structure.png?h=300&w=458 "3-(Cyclohexylcarbamoyl)pentan-3-yl 2-([4-oxo-6-propyl-1,4-dihydropyrimidin-2-yl]thio)acetate")
| SpectraBase Compound ID | 5Pd8FyvEGEU |
|---|---|
| InChI | InChI=1S/C21H33N3O4S/c1-4-10-16-13-17(25)24-20(23-16)29-14-18(26)28-21(5-2,6-3)19(27)22-15-11-8-7-9-12-15/h13,15H,4-12,14H2,1-3H3,(H,22,27)(H,23,24,25) |
| InChIKey | WOEKETBEWTVEAO-UHFFFAOYSA-N |
| Mol Weight | 423.6 g/mol |
| Molecular Formula | C21H33N3O4S |
| Exact Mass | 423.219178 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5hQ78nypDdH |
|---|---|
| Name | 3-(Cyclohexylcarbamoyl)pentan-3-yl 2-([4-oxo-6-propyl-1,4-dihydropyrimidin-2-yl]thio)acetate |
| Appearance | White powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H33N3O4S |
| InChI | InChI=1S/C21H33N3O4S/c1-4-10-16-13-17(25)24-20(23-16)29-14-18(26)28-21(5-2,6-3)19(27)22-15-11-8-7-9-12-15/h13,15H,4-12,14H2,1-3H3,(H,22,27)(H,23,24,25) |
| InChIKey | WOEKETBEWTVEAO-UHFFFAOYSA-N |
| Instrument Name | Finnigan MAT-8430 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/jccs.201800209 |
| Molecular Weight | 423.572 g/mol |
| SMILES | N1C(SCC(OC(C(=O)NC2CCCCC2)(CC)CC)=O)=NC(=O)C=C1CCC |
| SPLASH | splash10-06sj-7930000000-baada08e24b352957c8a |
| Source of Spectrum | QA-66-1378-5b |
| Wiley ID | 1838596 |