![Methyl 4-{[(3-oxo-2-thiomorpholinyl)acetyl]amino}benzoate](/api/spectrum/CxdGN2tgjja/structure.png?h=300&w=458 "Methyl 4-{[(3-oxo-2-thiomorpholinyl)acetyl]amino}benzoate")
| SpectraBase Compound ID | BHhfhN2cbo1 |
|---|---|
| InChI | InChI=1S/C14H16N2O4S/c1-20-14(19)9-2-4-10(5-3-9)16-12(17)8-11-13(18)15-6-7-21-11/h2-5,11H,6-8H2,1H3,(H,15,18)(H,16,17) |
| InChIKey | IDDNJTCDUJHBCS-UHFFFAOYSA-N |
| Mol Weight | 308.35 g/mol |
| Molecular Formula | C14H16N2O4S |
| Exact Mass | 308.083078 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CxdGN2tgjja |
|---|---|
| Name | Methyl 4-{[(3-oxo-2-thiomorpholinyl)acetyl]amino}benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.083078173 u |
| Formula | C14H16N2O4S |
| InChI | InChI=1S/C14H16N2O4S/c1-20-14(19)9-2-4-10(5-3-9)16-12(17)8-11-13(18)15-6-7-21-11/h2-5,11H,6-8H2,1H3,(H,15,18)(H,16,17) |
| InChIKey | IDDNJTCDUJHBCS-UHFFFAOYSA-N |
| SMILES | N(C(CC1C(NCCS1)=O)=O)C1=CC=C(C(=O)OC)C=C1 |