| SpectraBase Compound ID | IA0UbWCZdJP |
|---|---|
| InChI | InChI=1S/C13H18ClNO/c1-4-5-10(2)15(3)13(16)11-6-8-12(14)9-7-11/h6-10H,4-5H2,1-3H3 |
| InChIKey | IZTJTFXKIBZOOL-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 | LL0DkC6ABvu |
|---|---|
| Name | Benzamide, 4-chloro-N-(2-pentyl)-N-methyl- |
| 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/c1-4-5-10(2)15(3)13(16)11-6-8-12(14)9-7-11/h6-10H,4-5H2,1-3H3 |
| InChIKey | IZTJTFXKIBZOOL-UHFFFAOYSA-N |
| Molecular Weight | 239.746 g/mol |
| SMILES | CN(C(CCC)C)C(=O)C=1C=CC(=CC1)Cl |