| SpectraBase Compound ID | BnXRKoZJ5ku |
|---|---|
| InChI | InChI=1S/C6H14O3S/c1-3-5-6-9-10(7)8-4-2/h3-6H2,1-2H3 |
| InChIKey | KDPLARRKMFCITM-UHFFFAOYSA-N |
| Mol Weight | 166.23 g/mol |
| Molecular Formula | C6H14O3S |
| Exact Mass | 166.066365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AP7eQzKenXq |
|---|---|
| Name | Sulfurous acid, butyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.066365482 u |
| Formula | C6H14O3S |
| InChI | InChI=1S/C6H14O3S/c1-3-5-6-9-10(7)8-4-2/h3-6H2,1-2H3 |
| InChIKey | KDPLARRKMFCITM-UHFFFAOYSA-N |
| Molecular Weight | 166.235 g/mol |
| SMILES | C(OS(=O)OCCCC)C |