![benzamide, N-[2-acetyl-5-(1,1-dimethylethyl)phenyl]-4-chloro-](/api/spectrum/Gx4VAE2Lbio/structure.png?h=300&w=458 "benzamide, N-[2-acetyl-5-(1,1-dimethylethyl)phenyl]-4-chloro-")
| SpectraBase Compound ID | 9PlGvObTvSV |
|---|---|
| InChI | InChI=1S/C19H20ClNO2/c1-12(22)16-10-7-14(19(2,3)4)11-17(16)21-18(23)13-5-8-15(20)9-6-13/h5-11H,1-4H3,(H,21,23) |
| InChIKey | FPJABFICQDCZQK-UHFFFAOYSA-N |
| Mol Weight | 329.83 g/mol |
| Molecular Formula | C19H20ClNO2 |
| Exact Mass | 329.118257 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gx4VAE2Lbio |
|---|---|
| Name | Benzamide, N-[2-acetyl-5-(1,1-dimethylethyl)phenyl]-4-chloro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.118256586 u |
| Formula | C19H20ClNO2 |
| InChI | InChI=1S/C19H20ClNO2/c1-12(22)16-10-7-14(19(2,3)4)11-17(16)21-18(23)13-5-8-15(20)9-6-13/h5-11H,1-4H3,(H,21,23) |
| InChIKey | FPJABFICQDCZQK-UHFFFAOYSA-N |
| SMILES | N(C1=C(C=CC(=C1)C(C)(C)C)C(=O)C)C(C1=CC=C(C=C1)Cl)=O |