| SpectraBase Compound ID | I50vlTwzeOz |
|---|---|
| InChI | InChI=1S/C11H23NO2S/c1-2-3-4-5-6-7-9-15(14)10-8-11(12)13/h2-10H2,1H3,(H2,12,13) |
| InChIKey | SRQJRNJELZQTQM-UHFFFAOYSA-N |
| Mol Weight | 233.37 g/mol |
| Molecular Formula | C11H23NO2S |
| Exact Mass | 233.14495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8oJBWfhwjS0 |
|---|---|
| Name | 3-(Octane-1-sulfinyl)propanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.144950157 u |
| Formula | C11H23NO2S |
| InChI | InChI=1S/C11H23NO2S/c1-2-3-4-5-6-7-9-15(14)10-8-11(12)13/h2-10H2,1H3,(H2,12,13) |
| InChIKey | SRQJRNJELZQTQM-UHFFFAOYSA-N |
| Molecular Weight | 233.370 g/mol |
| SMILES | C(CCCCCC)CS(CCC(N)=O)=O |