| SpectraBase Compound ID | 8EDZSjLkgOF |
|---|---|
| InChI | InChI=1S/C7H13NOS/c1-10(9)7-5-3-2-4-6-8/h2-5,7H2,1H3 |
| InChIKey | APPYODZCSQLIJT-UHFFFAOYSA-N |
| Mol Weight | 159.25 g/mol |
| Molecular Formula | C7H13NOS |
| Exact Mass | 159.071785 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KgqZKPmySvM |
|---|---|
| Name | 6-Methylsulfinylhexanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.071785216 u |
| Formula | C7H13NOS |
| InChI | InChI=1S/C7H13NOS/c1-10(9)7-5-3-2-4-6-8/h2-5,7H2,1H3 |
| InChIKey | APPYODZCSQLIJT-UHFFFAOYSA-N |
| Molecular Weight | 159.247 g/mol |
| SMILES | C(CCCS(C)=O)CC#N |