| SpectraBase Compound ID | 3IndTWsSb5Z |
|---|---|
| InChI | InChI=1S/C6H12O2S/c1-2-4-8-6(7)3-5-9/h9H,2-5H2,1H3 |
| InChIKey | RIMHDIYZJQVNSO-UHFFFAOYSA-N |
| Mol Weight | 148.22 g/mol |
| Molecular Formula | C6H12O2S |
| Exact Mass | 148.055801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IsPS8be9lOF |
|---|---|
| Name | N-Propyl 3-mercaptopropanoate |
| 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/c1-2-4-8-6(7)3-5-9/h9H,2-5H2,1H3 |
| InChIKey | RIMHDIYZJQVNSO-UHFFFAOYSA-N |
| Molecular Weight | 148.220 g/mol |
| SMILES | C(CC(=O)OCCC)S |