![N-Cyclohexyl-N'-12-[2-thiophosphatoethyl]aminododecylurea](/api/spectrum/4CrxCtxNvFf/structure.png?h=300&w=458 "N-Cyclohexyl-N'-12-[2-thiophosphatoethyl]aminododecylurea")
| SpectraBase Compound ID | F0XuP136SMy |
|---|---|
| InChI | InChI=1S/C21H44N3O4PS/c25-21(24-20-14-10-9-11-15-20)23-17-13-8-6-4-2-1-3-5-7-12-16-22-18-19-30-29(26,27)28/h20,22H,1-19H2,(H2,23,24,25)(H2,26,27,28) |
| InChIKey | OXHVTAYLTUHLRN-UHFFFAOYSA-N |
| Mol Weight | 465.6 g/mol |
| Molecular Formula | C21H44N3O4PS |
| Exact Mass | 465.279015 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4CrxCtxNvFf |
|---|---|
| Name | N-Cyclohexyl-N'-12-[2-thiophosphatoethyl]aminododecylurea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 465.279015077 u |
| Formula | C21H44N3O4PS |
| InChI | InChI=1S/C21H44N3O4PS/c25-21(24-20-14-10-9-11-15-20)23-17-13-8-6-4-2-1-3-5-7-12-16-22-18-19-30-29(26,27)28/h20,22H,1-19H2,(H2,23,24,25)(H2,26,27,28) |
| InChIKey | OXHVTAYLTUHLRN-UHFFFAOYSA-N |
| Molecular Weight | 465.634 g/mol |
| SMILES | C1CC(NC(NCCCCCCCCCCCCNCCSP(=O)(O)O)=O)CCC1 |