| SpectraBase Compound ID | 54z1vgUBDO4 |
|---|---|
| InChI | InChI=1S/C12H27NO3S2/c1-3-5-7-9-13(10-8-6-4-2)11-12-17-18(14,15)16/h3-12H2,1-2H3,(H,14,15,16) |
| InChIKey | VAJOQNHCQCNVJZ-UHFFFAOYSA-N |
| Mol Weight | 297.47 g/mol |
| Molecular Formula | C12H27NO3S2 |
| Exact Mass | 297.143236 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GABYk4cisfD |
|---|---|
| Name | 2-Dipentylaminoethylthiosulfuric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.143236078 u |
| Formula | C12H27NO3S2 |
| InChI | InChI=1S/C12H27NO3S2/c1-3-5-7-9-13(10-8-6-4-2)11-12-17-18(14,15)16/h3-12H2,1-2H3,(H,14,15,16) |
| InChIKey | VAJOQNHCQCNVJZ-UHFFFAOYSA-N |
| Molecular Weight | 297.472 g/mol |
| SMILES | C(SS(O)(=O)=O)CN(CCCCC)CCCCC |