| SpectraBase Compound ID | HRwOf1z6aly |
|---|---|
| InChI | InChI=1S/C14H16BrNO/c1-14(2)8-12(7-13(17)9-14)16-11-5-3-10(15)4-6-11/h3-7,16H,8-9H2,1-2H3 |
| InChIKey | XIOHTTFVDXJURY-UHFFFAOYSA-N |
| Mol Weight | 294.19 g/mol |
| Molecular Formula | C14H16BrNO |
| Exact Mass | 293.041527 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G6yH1ctgfhb |
|---|---|
| Name | 3-(4-Bromoanilino)-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 | 293.041527138 u |
| Formula | C14H16BrNO |
| InChI | InChI=1S/C14H16BrNO/c1-14(2)8-12(7-13(17)9-14)16-11-5-3-10(15)4-6-11/h3-7,16H,8-9H2,1-2H3 |
| InChIKey | XIOHTTFVDXJURY-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC=C(C=C1)NC1=CC(=O)CC(C1)(C)C |