| SpectraBase Compound ID | 5IlUDDhtkiE |
|---|---|
| InChI | InChI=1S/C8H15NO3S2/c1-3-4-13-14-5-7(8(11)12)9-6(2)10/h7H,3-5H2,1-2H3,(H,9,10)(H,11,12) |
| InChIKey | IOXRPLPFAGFDFU-UHFFFAOYSA-N |
| Mol Weight | 237.33 g/mol |
| Molecular Formula | C8H15NO3S2 |
| Exact Mass | 237.049336 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6KX5iEPvsjX |
|---|---|
| Name | 4,5-Dithiooctanoic acid, 2-acetamino- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.049335692 u |
| Formula | C8H15NO3S2 |
| InChI | InChI=1S/C8H15NO3S2/c1-3-4-13-14-5-7(8(11)12)9-6(2)10/h7H,3-5H2,1-2H3,(H,9,10)(H,11,12) |
| InChIKey | IOXRPLPFAGFDFU-UHFFFAOYSA-N |
| Molecular Weight | 237.332 g/mol |
| SMILES | C(O)(C(CSSCCC)NC(=O)C)=O |