![S-3-[5-Phthalimidopentylamino]propyl dihydrogen phosphorothioate](/api/spectrum/EDWOrObAJVU/structure.png?h=300&w=458 "S-3-[5-Phthalimidopentylamino]propyl dihydrogen phosphorothioate")
| SpectraBase Compound ID | KOVTIFibfwk |
|---|---|
| InChI | InChI=1S/C16H23N2O5PS/c19-15-13-7-2-3-8-14(13)16(20)18(15)11-5-1-4-9-17-10-6-12-25-24(21,22)23/h2-3,7-8,17H,1,4-6,9-12H2,(H2,21,22,23) |
| InChIKey | ONBSSSPHUYPKFS-UHFFFAOYSA-N |
| Mol Weight | 386.4 g/mol |
| Molecular Formula | C16H23N2O5PS |
| Exact Mass | 386.10653 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EDWOrObAJVU |
|---|---|
| Name | S-3-[5-Phthalimidopentylamino]propyl dihydrogen phosphorothioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.106530016 u |
| Formula | C16H23N2O5PS |
| InChI | InChI=1S/C16H23N2O5PS/c19-15-13-7-2-3-8-14(13)16(20)18(15)11-5-1-4-9-17-10-6-12-25-24(21,22)23/h2-3,7-8,17H,1,4-6,9-12H2,(H2,21,22,23) |
| InChIKey | ONBSSSPHUYPKFS-UHFFFAOYSA-N |
| Molecular Weight | 386.403 g/mol |
| SMILES | C12=C(C=CC=C2)C(=O)N(C1=O)CCCCCNCCCSP(=O)(O)O |