| SpectraBase Compound ID | LS1vhcdp0Ke |
|---|---|
| InChI | InChI=1S/C12H16O2S/c1-9(2)12(13)15-8-10-4-6-11(14-3)7-5-10/h4-7,9H,8H2,1-3H3 |
| InChIKey | GYJVVHWXWFAKQI-UHFFFAOYSA-N |
| Mol Weight | 224.32 g/mol |
| Molecular Formula | C12H16O2S |
| Exact Mass | 224.087101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AEQUsndyyXi |
|---|---|
| Name | 4-Methoxybenzyl mercaptan, S-(2-methylpropionyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.087100927 u |
| Formula | C12H16O2S |
| InChI | InChI=1S/C12H16O2S/c1-9(2)12(13)15-8-10-4-6-11(14-3)7-5-10/h4-7,9H,8H2,1-3H3 |
| InChIKey | GYJVVHWXWFAKQI-UHFFFAOYSA-N |
| Molecular Weight | 224.318 g/mol |
| SMILES | C(SC(C(C)C)=O)C1=CC=C(C=C1)OC |