| SpectraBase Compound ID | JoGMKLYnB71 |
|---|---|
| InChI | InChI=1S/C9H20O3S/c1-4-5-6-7-11-13(10)12-8-9(2)3/h9H,4-8H2,1-3H3 |
| InChIKey | DCRISSHTLYYTKT-UHFFFAOYSA-N |
| Mol Weight | 208.32 g/mol |
| Molecular Formula | C9H20O3S |
| Exact Mass | 208.113316 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 | HkxxKW89uOI |
|---|---|
| Name | Sulfurous acid, isobutyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.113315675 u |
| Formula | C9H20O3S |
| InChI | InChI=1S/C9H20O3S/c1-4-5-6-7-11-13(10)12-8-9(2)3/h9H,4-8H2,1-3H3 |
| InChIKey | DCRISSHTLYYTKT-UHFFFAOYSA-N |
| Molecular Weight | 208.316 g/mol |
| SMILES | CCCCCOS(=O)OCC(C)C |