| SpectraBase Compound ID | 8Tt0er63l7m |
|---|---|
| InChI | InChI=1S/C12H16ClNO/c1-10-5-4-6-11(9-10)14-12(15)7-2-3-8-13/h4-6,9H,2-3,7-8H2,1H3,(H,14,15) |
| InChIKey | KXBWQDPILGCNTC-UHFFFAOYSA-N |
| Mol Weight | 225.72 g/mol |
| Molecular Formula | C12H16ClNO |
| Exact Mass | 225.092042 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IZis8JdKwTn |
|---|---|
| Name | Pentanamide, N-(3-methylphenyl)-5-chloro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.092041838 u |
| Formula | C12H16ClNO |
| InChI | InChI=1S/C12H16ClNO/c1-10-5-4-6-11(9-10)14-12(15)7-2-3-8-13/h4-6,9H,2-3,7-8H2,1H3,(H,14,15) |
| InChIKey | KXBWQDPILGCNTC-UHFFFAOYSA-N |
| Molecular Weight | 225.719 g/mol |
| SMILES | CC1=CC=CC(=C1)NC(CCCCCl)=O |