| SpectraBase Compound ID | 3CS126G7sdK |
|---|---|
| InChI | InChI=1S/C14H29NO3S2/c16-20(17,18)19-13-12-15-14-10-8-6-4-2-1-3-5-7-9-11-14/h14-15H,1-13H2,(H,16,17,18) |
| InChIKey | ZGSIHLYVXVPDJK-UHFFFAOYSA-N |
| Mol Weight | 323.51 g/mol |
| Molecular Formula | C14H29NO3S2 |
| Exact Mass | 323.158886 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LYpG8IzSbtw |
|---|---|
| Name | Ethanethiol, 2-cyclododecylamino-, hydrogen sulfate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.158886143 u |
| Formula | C14H29NO3S2 |
| InChI | InChI=1S/C14H29NO3S2/c16-20(17,18)19-13-12-15-14-10-8-6-4-2-1-3-5-7-9-11-14/h14-15H,1-13H2,(H,16,17,18) |
| InChIKey | ZGSIHLYVXVPDJK-UHFFFAOYSA-N |
| Molecular Weight | 323.510 g/mol |
| SMILES | C(SS(O)(=O)=O)CNC1CCCCCCCCCCC1 |