| SpectraBase Compound ID | Kw4WI0D959 |
|---|---|
| InChI | InChI=1S/C13H18O3S/c1-3-4-5-12(14)10-17(15,16)13-8-6-11(2)7-9-13/h6-9H,3-5,10H2,1-2H3 |
| InChIKey | STFFBROVGBZABT-UHFFFAOYSA-N |
| Mol Weight | 254.34 g/mol |
| Molecular Formula | C13H18O3S |
| Exact Mass | 254.097666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LBqtsqpMGW5 |
|---|---|
| Name | 1-Tosyl-2-hexanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.097665611 u |
| Formula | C13H18O3S |
| InChI | InChI=1S/C13H18O3S/c1-3-4-5-12(14)10-17(15,16)13-8-6-11(2)7-9-13/h6-9H,3-5,10H2,1-2H3 |
| InChIKey | STFFBROVGBZABT-UHFFFAOYSA-N |
| Molecular Weight | 254.344 g/mol |
| SMILES | C(C(CCCC)=O)S(=O)(=O)C=1C=CC(C)=CC1 |