| SpectraBase Compound ID | EJIrjtE1KNg |
|---|---|
| InChI | InChI=1S/C7H14O3S/c1-3-4-5-11(9,10)6-7(2)8/h3-6H2,1-2H3 |
| InChIKey | QZVULAHMNBLATB-UHFFFAOYSA-N |
| Mol Weight | 178.25 g/mol |
| Molecular Formula | C7H14O3S |
| Exact Mass | 178.066365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HI4b4Xd9hYl |
|---|---|
| Name | 1-(Butylsulfonyl)propan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.066365482 u |
| Formula | C7H14O3S |
| InChI | InChI=1S/C7H14O3S/c1-3-4-5-11(9,10)6-7(2)8/h3-6H2,1-2H3 |
| InChIKey | QZVULAHMNBLATB-UHFFFAOYSA-N |
| Molecular Weight | 178.246 g/mol |
| SMILES | CCCCS(=O)(=O)CC(C)=O |