![(2S)-2-(4-chloro-2-methyl-phenoxy)-N-[(1R)-1-methylpropyl]propanamide](/api/spectrum/GGr7pc5yfN5/structure.png?h=300&w=458 "(2S)-2-(4-chloro-2-methyl-phenoxy)-N-[(1R)-1-methylpropyl]propanamide")
| SpectraBase Compound ID | IwM7gstcpvT |
|---|---|
| InChI | InChI=1S/C14H20ClNO2/c1-5-10(3)16-14(17)11(4)18-13-7-6-12(15)8-9(13)2/h6-8,10-11H,5H2,1-4H3,(H,16,17)/t10-,11+/m1/s1 |
| InChIKey | BGYMOOBERLMCFE-MNOVXSKESA-N |
| Mol Weight | 269.77 g/mol |
| Molecular Formula | C14H20ClNO2 |
| Exact Mass | 269.118257 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GGr7pc5yfN5 |
|---|---|
| Name | (2S)-2-(4-Chloro-2-methyl-phenoxy)-N-[(1R)-1-methylpropyl]propanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.118256586 u |
| Formula | C14H20ClNO2 |
| InChI | InChI=1S/C14H20ClNO2/c1-5-10(3)16-14(17)11(4)18-13-7-6-12(15)8-9(13)2/h6-8,10-11H,5H2,1-4H3,(H,16,17)/t10-,11+/m1/s1 |
| InChIKey | BGYMOOBERLMCFE-MNOVXSKESA-N |
| SMILES | C(N[C@@](CC)(C)[H])([C@@](OC=1C(=CC(=CC1)Cl)C)(C)[H])=O |