![N-[3-(4-Chloro-phenylamino)-hexanoyl]-benzamide](/api/spectrum/8rQALVIuevz/structure.png?h=300&w=458 "N-[3-(4-Chloro-phenylamino)-hexanoyl]-benzamide")
| SpectraBase Compound ID | 1LLIaOFUiQk |
|---|---|
| InChI | InChI=1S/C19H21ClN2O2/c1-2-6-17(21-16-11-9-15(20)10-12-16)13-18(23)22-19(24)14-7-4-3-5-8-14/h3-5,7-12,17,21H,2,6,13H2,1H3,(H,22,23,24) |
| InChIKey | XDKANQNWTYSILD-UHFFFAOYSA-N |
| Mol Weight | 344.84 g/mol |
| Molecular Formula | C19H21ClN2O2 |
| Exact Mass | 344.129156 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8rQALVIuevz |
|---|---|
| Name | N-[3-(4-Chloro-phenylamino)-hexanoyl]-benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.129155622 u |
| Formula | C19H21ClN2O2 |
| InChI | InChI=1S/C19H21ClN2O2/c1-2-6-17(21-16-11-9-15(20)10-12-16)13-18(23)22-19(24)14-7-4-3-5-8-14/h3-5,7-12,17,21H,2,6,13H2,1H3,(H,22,23,24) |
| InChIKey | XDKANQNWTYSILD-UHFFFAOYSA-N |
| Molecular Weight | 344.842 g/mol |
| SMILES | C(C=1C=CC=CC1)(=O)NC(CC(CCC)NC=1C=CC(=CC1)Cl)=O |