| SpectraBase Compound ID | GPf8zcqVUMA |
|---|---|
| InChI | InChI=1S/C14H18O3S/c1-3-17-14(16)12(15)10-13(18-4-2)11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3 |
| InChIKey | NSGXRHCKZYXJDJ-UHFFFAOYSA-N |
| Mol Weight | 266.35 g/mol |
| Molecular Formula | C14H18O3S |
| Exact Mass | 266.097666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ISMazbhtddN |
|---|---|
| Name | Ethyl 4-(ethylthio)-2-oxo-4-phenyl-butanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.097665611 u |
| Formula | C14H18O3S |
| InChI | InChI=1S/C14H18O3S/c1-3-17-14(16)12(15)10-13(18-4-2)11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3 |
| InChIKey | NSGXRHCKZYXJDJ-UHFFFAOYSA-N |
| Molecular Weight | 266.355 g/mol |
| SMILES | C(CC(C=1C=CC=CC1)SCC)(C(=O)OCC)=O |