![N-(1-adamantylacetyl)-N'-[4-(4-morpholinyl)phenyl]thiourea](/api/spectrum/HAY4ZHQBqmd/structure.png?h=300&w=458 "N-(1-adamantylacetyl)-N'-[4-(4-morpholinyl)phenyl]thiourea")
| SpectraBase Compound ID | 6RL7VcsaKX8 |
|---|---|
| InChI | InChI=1S/C23H31N3O2S/c27-21(15-23-12-16-9-17(13-23)11-18(10-16)14-23)25-22(29)24-19-1-3-20(4-2-19)26-5-7-28-8-6-26/h1-4,16-18H,5-15H2,(H2,24,25,27,29)/t16-,17+,18-,23- |
| InChIKey | DRPGDJMTSBOADQ-BRGRSMLUSA-N |
| Mol Weight | 413.58 g/mol |
| Molecular Formula | C23H31N3O2S |
| Exact Mass | 413.213698 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HAY4ZHQBqmd |
|---|---|
| Name | N-(1-Adamantylacetyl)-N'-[4-(4-morpholinyl)phenyl]thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 413.213698422 u |
| Formula | C23H31N3O2S |
| InChI | InChI=1S/C23H31N3O2S/c27-21(15-23-12-16-9-17(13-23)11-18(10-16)14-23)25-22(29)24-19-1-3-20(4-2-19)26-5-7-28-8-6-26/h1-4,16-18H,5-15H2,(H2,24,25,27,29)/t16-,17+,18-,23- |
| InChIKey | DRPGDJMTSBOADQ-BRGRSMLUSA-N |
| Molecular Weight | 413.580 g/mol |
| SMILES | N(C(NC=1C=CC(N2CCOCC2)=CC1)=S)C(CC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O |