![4-Hydroxy-N-[2-[phenylthio]ethyl]butyramide](/api/spectrum/7D89J3B68f3/structure.png?h=300&w=458 "4-Hydroxy-N-[2-[phenylthio]ethyl]butyramide")
| SpectraBase Compound ID | BiVYYFHXqjG |
|---|---|
| InChI | InChI=1S/C12H17NO2S/c14-9-4-7-12(15)13-8-10-16-11-5-2-1-3-6-11/h1-3,5-6,14H,4,7-10H2,(H,13,15) |
| InChIKey | KTGXKWJPBZGSQU-UHFFFAOYSA-N |
| Mol Weight | 239.33 g/mol |
| Molecular Formula | C12H17NO2S |
| Exact Mass | 239.098 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7D89J3B68f3 |
|---|---|
| Name | 4-Hydroxy-N-[2-[phenylthio]ethyl]butyramide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.097999963 u |
| Formula | C12H17NO2S |
| InChI | InChI=1S/C12H17NO2S/c14-9-4-7-12(15)13-8-10-16-11-5-2-1-3-6-11/h1-3,5-6,14H,4,7-10H2,(H,13,15) |
| InChIKey | KTGXKWJPBZGSQU-UHFFFAOYSA-N |
| Molecular Weight | 239.333 g/mol |
| SMILES | C1=CC=CC=C1SCCNC(=O)CCCO |