![S-[2-[3-Benzylaminopropylamino]ethyl] thiophosphate](/api/spectrum/7l1b963A1rg/structure.png?h=300&w=458 "S-[2-[3-Benzylaminopropylamino]ethyl] thiophosphate")
| SpectraBase Compound ID | AsmUBlHWLrr |
|---|---|
| InChI | InChI=1S/C12H21N2O3PS/c15-18(16,17)19-10-9-13-7-4-8-14-11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H2,15,16,17) |
| InChIKey | GHYLYYRDEUZZLI-UHFFFAOYSA-N |
| Mol Weight | 304.34 g/mol |
| Molecular Formula | C12H21N2O3PS |
| Exact Mass | 304.101051 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 | 7l1b963A1rg |
|---|---|
| Name | S-[2-[3-Benzylaminopropylamino]ethyl] thiophosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.101050713 u |
| Formula | C12H21N2O3PS |
| InChI | InChI=1S/C12H21N2O3PS/c15-18(16,17)19-10-9-13-7-4-8-14-11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H2,15,16,17) |
| InChIKey | GHYLYYRDEUZZLI-UHFFFAOYSA-N |
| Molecular Weight | 304.345 g/mol |
| SMILES | C1=CC=CC=C1CNCCCNCCSP(O)(=O)O |