| SpectraBase Compound ID | EyHaLOmO9w4 |
|---|---|
| InChI | InChI=1S/C13H18O2S/c1-3-4-10-15-13(14)11(2)16-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3 |
| InChIKey | NIOAIQCNONJNMW-UHFFFAOYSA-N |
| Mol Weight | 238.34 g/mol |
| Molecular Formula | C13H18O2S |
| Exact Mass | 238.102751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3GlO6s8ENLT |
|---|---|
| Name | Tert-butyl 2-phenylthiopropanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.102750992 u |
| Formula | C13H18O2S |
| InChI | InChI=1S/C13H18O2S/c1-3-4-10-15-13(14)11(2)16-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3 |
| InChIKey | NIOAIQCNONJNMW-UHFFFAOYSA-N |
| Molecular Weight | 238.345 g/mol |
| SMILES | C(C(SC1=CC=CC=C1)C)(=O)OCCCC |