| SpectraBase Compound ID | 3owtlHHeF6v |
|---|---|
| InChI | InChI=1S/C5H12O2S/c1-3-4-5-8(6)7-2/h3-5H2,1-2H3 |
| InChIKey | HRRNQRJSBFSSKN-UHFFFAOYSA-N |
| Mol Weight | 136.21 g/mol |
| Molecular Formula | C5H12O2S |
| Exact Mass | 136.055801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 25SGP94SVgf |
|---|---|
| Name | 1-Butanesulfinic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 136.055800798 u |
| Formula | C5H12O2S |
| InChI | InChI=1S/C5H12O2S/c1-3-4-5-8(6)7-2/h3-5H2,1-2H3 |
| InChIKey | HRRNQRJSBFSSKN-UHFFFAOYSA-N |
| Molecular Weight | 136.209 g/mol |
| SMILES | C(S(OC)=O)CCC |