| SpectraBase Compound ID | KpAHu228IIV |
|---|---|
| InChI | InChI=1S/C14H31NO3S2/c1-3-5-7-9-11-15(12-10-8-6-4-2)13-14-19-20(16,17)18/h3-14H2,1-2H3,(H,16,17,18) |
| InChIKey | ZWEPQGPXWWJFNK-UHFFFAOYSA-N |
| Mol Weight | 325.53 g/mol |
| Molecular Formula | C14H31NO3S2 |
| Exact Mass | 325.174536 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DUZ2jmTT7no |
|---|---|
| Name | 2-N,N-Dihexylaminoethanethiosulfuric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.174536207 u |
| Formula | C14H31NO3S2 |
| InChI | InChI=1S/C14H31NO3S2/c1-3-5-7-9-11-15(12-10-8-6-4-2)13-14-19-20(16,17)18/h3-14H2,1-2H3,(H,16,17,18) |
| InChIKey | ZWEPQGPXWWJFNK-UHFFFAOYSA-N |
| Molecular Weight | 325.526 g/mol |
| SMILES | C(SS(O)(=O)=O)CN(CCCCCC)CCCCCC |