| SpectraBase Compound ID | EVHbuogCs6a |
|---|---|
| InChI | InChI=1S/C13H16O2S/c1-3-8-12(13(14)15-4-2)16-11-9-6-5-7-10-11/h3,5-7,9-10,12H,1,4,8H2,2H3 |
| InChIKey | ILKNMOJTXIPMRQ-UHFFFAOYSA-N |
| Mol Weight | 236.33 g/mol |
| Molecular Formula | C13H16O2S |
| Exact Mass | 236.087101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KgTiAcucD0E |
|---|---|
| Name | Ethyl 2-(phenylmercapto)-2-allylacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.087100927 u |
| Formula | C13H16O2S |
| InChI | InChI=1S/C13H16O2S/c1-3-8-12(13(14)15-4-2)16-11-9-6-5-7-10-11/h3,5-7,9-10,12H,1,4,8H2,2H3 |
| InChIKey | ILKNMOJTXIPMRQ-UHFFFAOYSA-N |
| Molecular Weight | 236.329 g/mol |
| SMILES | C(C(SC=1C=CC=CC1)CC=C)(=O)OCC |