| SpectraBase Compound ID | ED2BNstm0Wx |
|---|---|
| InChI | InChI=1S/C13H18ClNO/c1-2-11-7-3-4-8-12(11)15-13(16)9-5-6-10-14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,15,16) |
| InChIKey | SSKXTPSECZUKMF-UHFFFAOYSA-N |
| Mol Weight | 239.75 g/mol |
| Molecular Formula | C13H18ClNO |
| Exact Mass | 239.107692 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9inRN38C8V8 |
|---|---|
| Name | 5-Chlorovaleramide, N-(2-ethylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.107691903 u |
| Formula | C13H18ClNO |
| InChI | InChI=1S/C13H18ClNO/c1-2-11-7-3-4-8-12(11)15-13(16)9-5-6-10-14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,15,16) |
| InChIKey | SSKXTPSECZUKMF-UHFFFAOYSA-N |
| Molecular Weight | 239.746 g/mol |
| SMILES | C(CCl)CCC(=O)NC=1C(CC)=CC=CC1 |