![N-[o-Tolyl]-N'-6-[2-thiophosphatoethyl]aminohexylurea](/api/spectrum/2v04X7LBa5g/structure.png?h=300&w=458 "N-[o-Tolyl]-N'-6-[2-thiophosphatoethyl]aminohexylurea")
| SpectraBase Compound ID | 2KdUNL7K2EO |
|---|---|
| InChI | InChI=1S/C16H28N3O4PS/c1-14-8-4-5-9-15(14)19-16(20)18-11-7-3-2-6-10-17-12-13-25-24(21,22)23/h4-5,8-9,17H,2-3,6-7,10-13H2,1H3,(H2,18,19,20)(H2,21,22,23) |
| InChIKey | KUHUREOGGQCEEV-UHFFFAOYSA-N |
| Mol Weight | 389.45 g/mol |
| Molecular Formula | C16H28N3O4PS |
| Exact Mass | 389.153815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2v04X7LBa5g |
|---|---|
| Name | N-[o-Tolyl]-N'-6-[2-thiophosphatoethyl]aminohexylurea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 389.153814562 u |
| Formula | C16H28N3O4PS |
| InChI | InChI=1S/C16H28N3O4PS/c1-14-8-4-5-9-15(14)19-16(20)18-11-7-3-2-6-10-17-12-13-25-24(21,22)23/h4-5,8-9,17H,2-3,6-7,10-13H2,1H3,(H2,18,19,20)(H2,21,22,23) |
| InChIKey | KUHUREOGGQCEEV-UHFFFAOYSA-N |
| Molecular Weight | 389.451 g/mol |
| SMILES | C(SP(O)(=O)O)CNCCCCCCNC(NC1=CC=CC=C1C)=O |