| SpectraBase Compound ID | FEJc8EuVSiF |
|---|---|
| InChI | InChI=1S/C7H16O3S/c1-7(2,3)5-6-10-11(4,8)9/h5-6H2,1-4H3 |
| InChIKey | DCTROTZBSDPXSM-UHFFFAOYSA-N |
| Mol Weight | 180.26 g/mol |
| Molecular Formula | C7H16O3S |
| Exact Mass | 180.082016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LEnm59CGaaS |
|---|---|
| Name | 1-Butanol, 3,3-dimethyl-, methanesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.082015546 u |
| Formula | C7H16O3S |
| InChI | InChI=1S/C7H16O3S/c1-7(2,3)5-6-10-11(4,8)9/h5-6H2,1-4H3 |
| InChIKey | DCTROTZBSDPXSM-UHFFFAOYSA-N |
| Molecular Weight | 180.262 g/mol |
| SMILES | CC(CCOS(C)(=O)=O)(C)C |