| SpectraBase Compound ID | 7IiAGrAhx2 |
|---|---|
| InChI | InChI=1S/C16H21NO3/c1-16(2)9-11(7-12(18)10-16)17-14-8-13(19-3)5-6-15(14)20-4/h5-8,17H,9-10H2,1-4H3 |
| InChIKey | OKWGRQRJVQWBLC-UHFFFAOYSA-N |
| Mol Weight | 275.35 g/mol |
| Molecular Formula | C16H21NO3 |
| Exact Mass | 275.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4itf1izv8f2 |
|---|---|
| Name | 3-(2,5-Dimethoxyanilino)-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 | 275.152143537 u |
| Formula | C16H21NO3 |
| InChI | InChI=1S/C16H21NO3/c1-16(2)9-11(7-12(18)10-16)17-14-8-13(19-3)5-6-15(14)20-4/h5-8,17H,9-10H2,1-4H3 |
| InChIKey | OKWGRQRJVQWBLC-UHFFFAOYSA-N |
| Molecular Weight | 275.348 g/mol |
| SMILES | N(C=1C=C(OC)C=CC1OC)C1=CC(=O)CC(C1)(C)C |