![N-[2-(2,4-Dichlorophenyl)ethyl]-4-methylbenzamide](/api/spectrum/BZMXXAsY65J/structure.png?h=300&w=458 "N-[2-(2,4-Dichlorophenyl)ethyl]-4-methylbenzamide")
| SpectraBase Compound ID | EgoDIPymGB2 |
|---|---|
| InChI | InChI=1S/C16H15Cl2NO/c1-11-2-4-13(5-3-11)16(20)19-9-8-12-6-7-14(17)10-15(12)18/h2-7,10H,8-9H2,1H3,(H,19,20) |
| InChIKey | PXRKLUQCQVZONF-UHFFFAOYSA-N |
| Mol Weight | 308.21 g/mol |
| Molecular Formula | C16H15Cl2NO |
| Exact Mass | 307.05307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BZMXXAsY65J |
|---|---|
| Name | N-[2-(2,4-Dichlorophenyl)ethyl]-4-methylbenzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.053069506 u |
| Formula | C16H15Cl2NO |
| InChI | InChI=1S/C16H15Cl2NO/c1-11-2-4-13(5-3-11)16(20)19-9-8-12-6-7-14(17)10-15(12)18/h2-7,10H,8-9H2,1H3,(H,19,20) |
| InChIKey | PXRKLUQCQVZONF-UHFFFAOYSA-N |
| Molecular Weight | 308.208 g/mol |
| SMILES | C=1(C(NCCC=2C(=CC(=CC2)Cl)Cl)=O)C=CC(=CC1)C |