![N-Propyl-S-[2-aminoethyl]phosphorothioate](/api/spectrum/1gJhXoHoJ4n/structure.png?h=300&w=458 "N-Propyl-S-[2-aminoethyl]phosphorothioate")
| SpectraBase Compound ID | BgWruvbozxC |
|---|---|
| InChI | InChI=1S/C5H14NO3PS/c1-2-3-6-4-5-11-10(7,8)9/h6H,2-5H2,1H3,(H2,7,8,9) |
| InChIKey | XOKPZIVUQOFINE-UHFFFAOYSA-N |
| Mol Weight | 199.2 g/mol |
| Molecular Formula | C5H14NO3PS |
| Exact Mass | 199.043201 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1gJhXoHoJ4n |
|---|---|
| Name | N-Propyl-S-[2-aminoethyl]phosphorothioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.043201484 u |
| Formula | C5H14NO3PS |
| InChI | InChI=1S/C5H14NO3PS/c1-2-3-6-4-5-11-10(7,8)9/h6H,2-5H2,1H3,(H2,7,8,9) |
| InChIKey | XOKPZIVUQOFINE-UHFFFAOYSA-N |
| Molecular Weight | 199.205 g/mol |
| SMILES | C(SP(O)(O)=O)CNCCC |