| SpectraBase Compound ID | EjfKIiQYPdU |
|---|---|
| InChI | InChI=1S/C7H14O4S/c1-2-3-5-12(10,11)6-4-7(8)9/h2-6H2,1H3,(H,8,9) |
| InChIKey | GSHVAQAKBLEIEY-UHFFFAOYSA-N |
| Mol Weight | 194.24 g/mol |
| Molecular Formula | C7H14O4S |
| Exact Mass | 194.06128 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EFwFyX7smHE |
|---|---|
| Name | Propanoic acid, 3-(butylsulfonyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.061280101 u |
| Formula | C7H14O4S |
| InChI | InChI=1S/C7H14O4S/c1-2-3-5-12(10,11)6-4-7(8)9/h2-6H2,1H3,(H,8,9) |
| InChIKey | GSHVAQAKBLEIEY-UHFFFAOYSA-N |
| Molecular Weight | 194.245 g/mol |
| SMILES | OC(=O)CCS(=O)(=O)CCCC |