| SpectraBase Compound ID | 3iFQPI5zqTw |
|---|---|
| InChI | InChI=1S/C15H22N2O2S/c1-3-7-14(18)17-13(10-11-20-2)15(19)16-12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10-11H2,1-2H3,(H,16,19)(H,17,18) |
| InChIKey | VRFLENFMWCRVKB-UHFFFAOYSA-N |
| Mol Weight | 294.41 g/mol |
| Molecular Formula | C15H22N2O2S |
| Exact Mass | 294.140199 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2UjtG23diWO |
|---|---|
| Name | N-Butyryl-L-methionine anilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.140199128 u |
| Formula | C15H22N2O2S |
| InChI | InChI=1S/C15H22N2O2S/c1-3-7-14(18)17-13(10-11-20-2)15(19)16-12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10-11H2,1-2H3,(H,16,19)(H,17,18) |
| InChIKey | VRFLENFMWCRVKB-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC=C1)NC(=O)C(CCSC)NC(CCC)=O |