| SpectraBase Compound ID | 4Ln3eJG9C62 |
|---|---|
| InChI | InChI=1S/C7H14O2S/c1-6(2)7(8)9-4-3-5-10/h6,10H,3-5H2,1-2H3 |
| InChIKey | DOZANHKAGPWWDS-UHFFFAOYSA-N |
| Mol Weight | 162.25 g/mol |
| Molecular Formula | C7H14O2S |
| Exact Mass | 162.071451 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 | S4UWtz9ANa |
|---|---|
| Name | 2-Methylpropanoic acid 3-mercaptopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.071450863 u |
| Formula | C7H14O2S |
| InChI | InChI=1S/C7H14O2S/c1-6(2)7(8)9-4-3-5-10/h6,10H,3-5H2,1-2H3 |
| InChIKey | DOZANHKAGPWWDS-UHFFFAOYSA-N |
| Molecular Weight | 162.247 g/mol |
| SMILES | C(C(C)C)(=O)OCCCS |