| SpectraBase Compound ID | 7sQeM1kSYsA |
|---|---|
| InChI | InChI=1S/C15H18N2O4S/c1-2-21-15(20)11-9-22-12(14(19)17-11)8-13(18)16-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3,(H,16,18)(H,17,19) |
| InChIKey | QUOVFDCGGVVBMP-UHFFFAOYSA-N |
| Mol Weight | 322.38 g/mol |
| Molecular Formula | C15H18N2O4S |
| Exact Mass | 322.098728 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BhEA3AT4YiX |
|---|---|
| Name | Ethyl 6-(2-anilino-2-oxoethyl)-5-oxo-3-thiomorpholinecarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.098728238 u |
| Formula | C15H18N2O4S |
| InChI | InChI=1S/C15H18N2O4S/c1-2-21-15(20)11-9-22-12(14(19)17-11)8-13(18)16-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3,(H,16,18)(H,17,19) |
| InChIKey | QUOVFDCGGVVBMP-UHFFFAOYSA-N |
| SMILES | N(C(CC1C(NC(CS1)C(=O)OCC)=O)=O)C1=CC=CC=C1 |