| SpectraBase Compound ID | DCVCclUJH6I |
|---|---|
| InChI | InChI=1S/C11H15NO2S/c1-2-15-8-7-14-11(13)9-3-5-10(12)6-4-9/h3-6H,2,7-8,12H2,1H3 |
| InChIKey | FEPFKHGFMRPJKT-UHFFFAOYSA-N |
| Mol Weight | 225.31 g/mol |
| Molecular Formula | C11H15NO2S |
| Exact Mass | 225.08235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ih5m7RdRqP9 |
|---|---|
| Name | Ethanol, 2-(ethylthio)-, 4-aminobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.082349899 u |
| Formula | C11H15NO2S |
| InChI | InChI=1S/C11H15NO2S/c1-2-15-8-7-14-11(13)9-3-5-10(12)6-4-9/h3-6H,2,7-8,12H2,1H3 |
| InChIKey | FEPFKHGFMRPJKT-UHFFFAOYSA-N |
| Molecular Weight | 225.306 g/mol |
| SMILES | C1=C(C=CC(=C1)N)C(=O)OCCSCC |