![N'-cyclohexyl-N-[1-(4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]-N-(2-phenylethyl)thiourea](/api/spectrum/LAmuRrdAVvW/structure.png?h=300&w=458 "N'-cyclohexyl-N-[1-(4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]-N-(2-phenylethyl)thiourea")
| SpectraBase Compound ID | 3x9HwipihjK |
|---|---|
| InChI | InChI=1S/C26H31N3O2S/c1-19-12-14-22(15-13-19)29-24(30)18-23(25(29)31)28(17-16-20-8-4-2-5-9-20)26(32)27-21-10-6-3-7-11-21/h2,4-5,8-9,12-15,21,23H,3,6-7,10-11,16-18H2,1H3,(H,27,32) |
| InChIKey | DLTBAFDTZPCRFK-UHFFFAOYSA-N |
| Mol Weight | 449.61 g/mol |
| Molecular Formula | C26H31N3O2S |
| Exact Mass | 449.213698 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LAmuRrdAVvW |
|---|---|
| Name | N'-Cyclohexyl-N-[1-(4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]-N-(2-phenylethyl)thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 449.213698422 u |
| Formula | C26H31N3O2S |
| InChI | InChI=1S/C26H31N3O2S/c1-19-12-14-22(15-13-19)29-24(30)18-23(25(29)31)28(17-16-20-8-4-2-5-9-20)26(32)27-21-10-6-3-7-11-21/h2,4-5,8-9,12-15,21,23H,3,6-7,10-11,16-18H2,1H3,(H,27,32) |
| InChIKey | DLTBAFDTZPCRFK-UHFFFAOYSA-N |
| Molecular Weight | 449.613 g/mol |
| SMILES | N(C(N(C1C(N(C(C1)=O)C=1C=CC(=CC1)C)=O)CCC1=CC=CC=C1)=S)C1CCCCC1 |