| SpectraBase Compound ID | DrKHIKyEFbU |
|---|---|
| InChI | InChI=1S/C12H15NO2S/c14-12(13-6-8-15-9-7-13)10-16-11-4-2-1-3-5-11/h1-5H,6-10H2 |
| InChIKey | NAMFKTBQSCMITK-UHFFFAOYSA-N |
| Mol Weight | 237.32 g/mol |
| Molecular Formula | C12H15NO2S |
| Exact Mass | 237.08235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FfrTFll1cPo |
|---|---|
| Name | Phenylthioacetic acid, morpholide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.082349899 u |
| Formula | C12H15NO2S |
| InChI | InChI=1S/C12H15NO2S/c14-12(13-6-8-15-9-7-13)10-16-11-4-2-1-3-5-11/h1-5H,6-10H2 |
| InChIKey | NAMFKTBQSCMITK-UHFFFAOYSA-N |
| Molecular Weight | 237.317 g/mol |
| SMILES | C1=CC=C(C=C1)SCC(N1CCOCC1)=O |