![N,N'-Diisopropyl-N''-3-[2-thiophosphatoethyl]aminopropylguanidine](/api/spectrum/6dB6ndpKoGd/structure.png?h=300&w=458 "N,N'-Diisopropyl-N''-3-[2-thiophosphatoethyl]aminopropylguanidine")
| SpectraBase Compound ID | 6NKe3mRqIYk |
|---|---|
| InChI | InChI=1S/C12H29N4O3PS/c1-10(2)15-12(16-11(3)4)14-7-5-6-13-8-9-21-20(17,18)19/h10-11,13H,5-9H2,1-4H3,(H2,14,15,16)(H2,17,18,19) |
| InChIKey | XQGNACLTEUTLQE-UHFFFAOYSA-N |
| Mol Weight | 340.42 g/mol |
| Molecular Formula | C12H29N4O3PS |
| Exact Mass | 340.169799 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6dB6ndpKoGd |
|---|---|
| Name | N,N'-Diisopropyl-N''-3-[2-thiophosphatoethyl]aminopropylguanidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.169798979 u |
| Formula | C12H29N4O3PS |
| InChI | InChI=1S/C12H29N4O3PS/c1-10(2)15-12(16-11(3)4)14-7-5-6-13-8-9-21-20(17,18)19/h10-11,13H,5-9H2,1-4H3,(H2,14,15,16)(H2,17,18,19) |
| InChIKey | XQGNACLTEUTLQE-UHFFFAOYSA-N |
| Molecular Weight | 340.423 g/mol |
| SMILES | C(SP(=O)(O)O)CNCCCN\C(NC(C)C)=N/C(C)C |