![N-Phenyl-N'-12-[2-thiophosphatoethyl]aminododecylurea](/api/spectrum/KPybwsWWeyC/structure.png?h=300&w=458 "N-Phenyl-N'-12-[2-thiophosphatoethyl]aminododecylurea")
| SpectraBase Compound ID | 4BLuLyxEQDK |
|---|---|
| InChI | InChI=1S/C21H38N3O4PS/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/h9-11,14-15,22H,1-8,12-13,16-19H2,(H2,23,24,25)(H2,26,27,28) |
| InChIKey | ZHNZQIDAOGENDN-UHFFFAOYSA-N |
| Mol Weight | 459.6 g/mol |
| Molecular Formula | C21H38N3O4PS |
| Exact Mass | 459.232065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KPybwsWWeyC |
|---|---|
| Name | N-Phenyl-N'-12-[2-thiophosphatoethyl]aminododecylurea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 459.232064884 u |
| Formula | C21H38N3O4PS |
| InChI | InChI=1S/C21H38N3O4PS/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/h9-11,14-15,22H,1-8,12-13,16-19H2,(H2,23,24,25)(H2,26,27,28) |
| InChIKey | ZHNZQIDAOGENDN-UHFFFAOYSA-N |
| Molecular Weight | 459.586 g/mol |
| SMILES | C1=CC(NC(NCCCCCCCCCCCCNCCSP(=O)(O)O)=O)=CC=C1 |