![2-[3-Cyclohexylaminopropylamino]ethylthiophosphate](/api/spectrum/1Iw81DkCYJk/structure.png?h=300&w=458 "2-[3-Cyclohexylaminopropylamino]ethylthiophosphate")
| SpectraBase Compound ID | 5oCaDrsDwFC |
|---|---|
| InChI | InChI=1S/C11H25N2O3PS/c14-17(15,16)18-10-9-12-7-4-8-13-11-5-2-1-3-6-11/h11-13H,1-10H2,(H2,14,15,16) |
| InChIKey | ZILVRCAJNFXOLU-UHFFFAOYSA-N |
| Mol Weight | 296.37 g/mol |
| Molecular Formula | C11H25N2O3PS |
| Exact Mass | 296.132351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Iw81DkCYJk |
|---|---|
| Name | 2-[3-Cyclohexylaminopropylamino]ethylthiophosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.132350842 u |
| Formula | C11H25N2O3PS |
| InChI | InChI=1S/C11H25N2O3PS/c14-17(15,16)18-10-9-12-7-4-8-13-11-5-2-1-3-6-11/h11-13H,1-10H2,(H2,14,15,16) |
| InChIKey | ZILVRCAJNFXOLU-UHFFFAOYSA-N |
| Molecular Weight | 296.366 g/mol |
| SMILES | C(SP(O)(O)=O)CNCCCNC1CCCCC1 |