| SpectraBase Compound ID | EXGI4MI77DS |
|---|---|
| InChI | InChI=1S/C12H16OS/c1-2-3-9-14-10-12(13)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3 |
| InChIKey | HCFDKQCIJODUNE-UHFFFAOYSA-N |
| Mol Weight | 208.32 g/mol |
| Molecular Formula | C12H16OS |
| Exact Mass | 208.092186 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CxiKlzvNGhF |
|---|---|
| Name | 2-(Butylthio)-1-phenylethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.092186308 u |
| Formula | C12H16OS |
| InChI | InChI=1S/C12H16OS/c1-2-3-9-14-10-12(13)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3 |
| InChIKey | HCFDKQCIJODUNE-UHFFFAOYSA-N |
| Molecular Weight | 208.319 g/mol |
| SMILES | C=1C=CC(C(=O)CSCCCC)=CC1 |