| SpectraBase Compound ID | 3UJZuTmNVa8 |
|---|---|
| InChI | InChI=1S/C14H21NO3S/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15-19(4,17)18/h5-8,10-11H,9H2,1-4H3,(H,15,16)/t11-/m1/s1 |
| InChIKey | KQDRVXQXKZXMHP-LLVKDONJSA-N |
| Mol Weight | 283.39 g/mol |
| Molecular Formula | C14H21NO3S |
| Exact Mass | 283.124215 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FWNM3wv4qXJ |
|---|---|
| Name | (2R)-2-(4-Isobutylphenyl)-N-mesyl-propionamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.124214711 u |
| Formula | C14H21NO3S |
| InChI | InChI=1S/C14H21NO3S/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15-19(4,17)18/h5-8,10-11H,9H2,1-4H3,(H,15,16)/t11-/m1/s1 |
| InChIKey | KQDRVXQXKZXMHP-LLVKDONJSA-N |
| SMILES | [C@](C(NS(C)(=O)=O)=O)(C)(C1=CC=C(C=C1)CC(C)C)[H] |