| SpectraBase Compound ID | 2H7Uj1GE5nH |
|---|---|
| InChI | InChI=1S/C13H18O2S/c1-13(2,3)12(14)16-9-10-5-7-11(15-4)8-6-10/h5-8H,9H2,1-4H3 |
| InChIKey | CINANYUESFBBBI-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 | HzGJaAcNwKB |
|---|---|
| Name | 4-Methoxybenzyl mercaptan, S-trimethylacetyl- |
| 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/c1-13(2,3)12(14)16-9-10-5-7-11(15-4)8-6-10/h5-8H,9H2,1-4H3 |
| InChIKey | CINANYUESFBBBI-UHFFFAOYSA-N |
| Molecular Weight | 238.345 g/mol |
| SMILES | C(SC(C(C)(C)C)=O)C1=CC=C(C=C1)OC |