![S-3-[Cyclododecylamino]propyl hydrogen thiosulfate](/api/spectrum/DNuosg877KU/structure.png?h=300&w=458 "S-3-[Cyclododecylamino]propyl hydrogen thiosulfate")
| SpectraBase Compound ID | 52mmKnvbqqY |
|---|---|
| InChI | InChI=1S/C15H31NO3S2/c17-21(18,19)20-14-10-13-16-15-11-8-6-4-2-1-3-5-7-9-12-15/h15-16H,1-14H2,(H,17,18,19) |
| InChIKey | PGOTXBFCPBIKBI-UHFFFAOYSA-N |
| Mol Weight | 337.54 g/mol |
| Molecular Formula | C15H31NO3S2 |
| Exact Mass | 337.174536 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DNuosg877KU |
|---|---|
| Name | S-3-[Cyclododecylamino]propyl hydrogen thiosulfate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.174536207 u |
| Formula | C15H31NO3S2 |
| InChI | InChI=1S/C15H31NO3S2/c17-21(18,19)20-14-10-13-16-15-11-8-6-4-2-1-3-5-7-9-12-15/h15-16H,1-14H2,(H,17,18,19) |
| InChIKey | PGOTXBFCPBIKBI-UHFFFAOYSA-N |
| Molecular Weight | 337.537 g/mol |
| SMILES | C(SS(O)(=O)=O)CCNC1CCCCCCCCCCC1 |