![N-Phenyl-N'-3-[2-thiophosphatoethyl]aminopropylurea](/api/spectrum/83Jtwtb0yR4/structure.png?h=300&w=458 "N-Phenyl-N'-3-[2-thiophosphatoethyl]aminopropylurea")
| SpectraBase Compound ID | EWOICUyDUvF |
|---|---|
| InChI | InChI=1S/C12H20N3O4PS/c16-12(15-11-5-2-1-3-6-11)14-8-4-7-13-9-10-21-20(17,18)19/h1-3,5-6,13H,4,7-10H2,(H2,14,15,16)(H2,17,18,19) |
| InChIKey | UKUYXKHKUZKNNE-UHFFFAOYSA-N |
| Mol Weight | 333.34 g/mol |
| Molecular Formula | C12H20N3O4PS |
| Exact Mass | 333.091214 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 83Jtwtb0yR4 |
|---|---|
| Name | N-Phenyl-N'-3-[2-thiophosphatoethyl]aminopropylurea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.091214304 u |
| Formula | C12H20N3O4PS |
| InChI | InChI=1S/C12H20N3O4PS/c16-12(15-11-5-2-1-3-6-11)14-8-4-7-13-9-10-21-20(17,18)19/h1-3,5-6,13H,4,7-10H2,(H2,14,15,16)(H2,17,18,19) |
| InChIKey | UKUYXKHKUZKNNE-UHFFFAOYSA-N |
| Molecular Weight | 333.343 g/mol |
| SMILES | C1(NC(NCCCNCCSP(O)(=O)O)=O)=CC=CC=C1 |