| SpectraBase Compound ID | CMgpIxLN9c7 |
|---|---|
| InChI | InChI=1S/C14H16ClNO/c1-14(2)8-12(7-13(17)9-14)16-11-5-3-4-10(15)6-11/h3-7,16H,8-9H2,1-2H3 |
| InChIKey | CEQJQTUWWPLELV-UHFFFAOYSA-N |
| Mol Weight | 249.74 g/mol |
| Molecular Formula | C14H16ClNO |
| Exact Mass | 249.092042 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3PzzAt3aPrm |
|---|---|
| Name | 3-(3-Chloroanilino)-5,5-dimethyl-2-cyclohexen-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.092041838 u |
| Formula | C14H16ClNO |
| InChI | InChI=1S/C14H16ClNO/c1-14(2)8-12(7-13(17)9-14)16-11-5-3-4-10(15)6-11/h3-7,16H,8-9H2,1-2H3 |
| InChIKey | CEQJQTUWWPLELV-UHFFFAOYSA-N |
| Molecular Weight | 249.741 g/mol |
| SMILES | C1(Cl)=CC(=CC=C1)NC1=CC(=O)CC(C1)(C)C |