![N-[1-Naphthyl]-N'-3-[2-thiophosphatoethyl]aminopropylthiourea](/api/spectrum/EefWQzXL4qk/structure.png?h=300&w=458 "N-[1-Naphthyl]-N'-3-[2-thiophosphatoethyl]aminopropylthiourea")
| SpectraBase Compound ID | 24B1p2sHykV |
|---|---|
| InChI | InChI=1S/C16H22N3O3PS2/c20-23(21,22)25-12-11-17-9-4-10-18-16(24)19-15-8-3-6-13-5-1-2-7-14(13)15/h1-3,5-8,17H,4,9-12H2,(H2,18,19,24)(H2,20,21,22) |
| InChIKey | YDAOMVRETNOKIY-UHFFFAOYSA-N |
| Mol Weight | 399.46 g/mol |
| Molecular Formula | C16H22N3O3PS2 |
| Exact Mass | 399.084021 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 | EefWQzXL4qk |
|---|---|
| Name | N-[1-Naphthyl]-N'-3-[2-thiophosphatoethyl]aminopropylthiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 399.084020923 u |
| Formula | C16H22N3O3PS2 |
| InChI | InChI=1S/C16H22N3O3PS2/c20-23(21,22)25-12-11-17-9-4-10-18-16(24)19-15-8-3-6-13-5-1-2-7-14(13)15/h1-3,5-8,17H,4,9-12H2,(H2,18,19,24)(H2,20,21,22) |
| InChIKey | YDAOMVRETNOKIY-UHFFFAOYSA-N |
| Molecular Weight | 399.464 g/mol |
| SMILES | C1=CC=CC2=C1C(=CC=C2)NC(NCCCNCCSP(O)(=O)O)=S |