| SpectraBase Compound ID | 3PJhmlxDU2o |
|---|---|
| InChI | InChI=1S/C8H16OS/c1-3-4-5-6-10-7-8(2)9/h3-7H2,1-2H3 |
| InChIKey | MNUNXVYLKOVBTN-UHFFFAOYSA-N |
| Mol Weight | 160.27 g/mol |
| Molecular Formula | C8H16OS |
| Exact Mass | 160.092186 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5lhV0Iiu69m |
|---|---|
| Name | 2-Propanone, 1-(pentylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.092186308 u |
| Formula | C8H16OS |
| InChI | InChI=1S/C8H16OS/c1-3-4-5-6-10-7-8(2)9/h3-7H2,1-2H3 |
| InChIKey | MNUNXVYLKOVBTN-UHFFFAOYSA-N |
| Molecular Weight | 160.275 g/mol |
| SMILES | C(SCC(C)=O)CCCC |