![N-[2-(methylthio)nicotinoyl]leucine](/api/spectrum/6Wu7CkDp3wE/structure.png?h=300&w=458 "N-[2-(methylthio)nicotinoyl]leucine")
| SpectraBase Compound ID | 51d7YAGnX4q |
|---|---|
| InChI | InChI=1S/C13H18N2O3S/c1-8(2)7-10(13(17)18)15-11(16)9-5-4-6-14-12(9)19-3/h4-6,8,10H,7H2,1-3H3,(H,15,16)(H,17,18) |
| InChIKey | QCNUVPGFTRHRMH-UHFFFAOYSA-N |
| Mol Weight | 282.36 g/mol |
| Molecular Formula | C13H18N2O3S |
| Exact Mass | 282.103814 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Wu7CkDp3wE |
|---|---|
| Name | N-[2-(Methylthio)nicotinoyl]leucine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.103813619 u |
| Formula | C13H18N2O3S |
| InChI | InChI=1S/C13H18N2O3S/c1-8(2)7-10(13(17)18)15-11(16)9-5-4-6-14-12(9)19-3/h4-6,8,10H,7H2,1-3H3,(H,15,16)(H,17,18) |
| InChIKey | QCNUVPGFTRHRMH-UHFFFAOYSA-N |
| Molecular Weight | 282.358 g/mol |
| SMILES | N(C(C1=CC=CN=C1SC)=O)C(C(O)=O)CC(C)C |