| SpectraBase Compound ID | 7CYkFNLN846 |
|---|---|
| InChI | InChI=1S/C13H16O3S/c1-2-17-10-6-9-16-13(15)12(14)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3 |
| InChIKey | TZJRBTTWVDFOBH-UHFFFAOYSA-N |
| Mol Weight | 252.33 g/mol |
| Molecular Formula | C13H16O3S |
| Exact Mass | 252.082016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LlvXWnTndAn |
|---|---|
| Name | 3'-Ethylthio N-propyl phenylglyoxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.082015546 u |
| Formula | C13H16O3S |
| InChI | InChI=1S/C13H16O3S/c1-2-17-10-6-9-16-13(15)12(14)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3 |
| InChIKey | TZJRBTTWVDFOBH-UHFFFAOYSA-N |
| Molecular Weight | 252.328 g/mol |
| SMILES | C(C(=O)OCCCSCC)(=O)C=1C=CC=CC1 |