| SpectraBase Compound ID | 89uIW6X13QK |
|---|---|
| InChI | InChI=1S/C6H12O2S/c1-3-5(2)8-6(7)4-9/h5,9H,3-4H2,1-2H3 |
| InChIKey | SHCXYFWPWOFPFI-UHFFFAOYSA-N |
| Mol Weight | 148.22 g/mol |
| Molecular Formula | C6H12O2S |
| Exact Mass | 148.055801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LZV9LSiGApu |
|---|---|
| Name | Acetic acid, mercapto-, sec-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.055800798 u |
| Formula | C6H12O2S |
| InChI | InChI=1S/C6H12O2S/c1-3-5(2)8-6(7)4-9/h5,9H,3-4H2,1-2H3 |
| InChIKey | SHCXYFWPWOFPFI-UHFFFAOYSA-N |
| Molecular Weight | 148.220 g/mol |
| SMILES | C(OC(CS)=O)(CC)C |