![3-(Cyclohexylcarbamoyl)pentan-3-yl 2-([4-oxo-6-propyl-1,4-dihydropyrimidin-2-yl]thio)-2-phenylacetate](/api/spectrum/2TrfEP9wO0/structure.png?h=300&w=458 "3-(Cyclohexylcarbamoyl)pentan-3-yl 2-([4-oxo-6-propyl-1,4-dihydropyrimidin-2-yl]thio)-2-phenylacetate")
| SpectraBase Compound ID | LFXRkkthG7H |
|---|---|
| InChI | InChI=1S/C27H37N3O4S/c1-4-13-21-18-22(31)30-26(29-21)35-23(19-14-9-7-10-15-19)24(32)34-27(5-2,6-3)25(33)28-20-16-11-8-12-17-20/h7,9-10,14-15,18,20,23H,4-6,8,11-13,16-17H2,1-3H3,(H,28,33)(H,29,30,31) |
| InChIKey | HNCGYRLSMWLUMW-UHFFFAOYSA-N |
| Mol Weight | 499.7 g/mol |
| Molecular Formula | C27H37N3O4S |
| Exact Mass | 499.250478 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2TrfEP9wO0 |
|---|---|
| Name | 3-(Cyclohexylcarbamoyl)pentan-3-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 | C27H37N3O4S |
| InChI | InChI=1S/C27H37N3O4S/c1-4-13-21-18-22(31)30-26(29-21)35-23(19-14-9-7-10-15-19)24(32)34-27(5-2,6-3)25(33)28-20-16-11-8-12-17-20/h7,9-10,14-15,18,20,23H,4-6,8,11-13,16-17H2,1-3H3,(H,28,33)(H,29,30,31) |
| InChIKey | HNCGYRLSMWLUMW-UHFFFAOYSA-N |
| Instrument Name | Finnigan MAT-8430 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/jccs.201800209 |
| Molecular Weight | 499.670 g/mol |
| SMILES | N1C(SC(C(OC(C(=O)NC2CCCCC2)(CC)CC)=O)c2ccccc2)=NC(=O)C=C1CCC |
| SPLASH | splash10-0541-3493000000-d39111fb398af0f3615b |
| Source of Spectrum | QA-66-1379-5j |
| Wiley ID | 1838603 |