| SpectraBase Compound ID | 9us8yXQJYGC |
|---|---|
| InChI | InChI=1S/C16H17ClO3/c1-2-3-13(18)16-14(19)8-11(9-15(16)20)10-4-6-12(17)7-5-10/h4-7,11,19H,2-3,8-9H2,1H3 |
| InChIKey | KBTUOMOLRPXHQV-UHFFFAOYSA-N |
| Mol Weight | 292.76 g/mol |
| Molecular Formula | C16H17ClO3 |
| Exact Mass | 292.086622 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I3FZnjMKEqB |
|---|---|
| Name | 2-Cyclohexen-1-one, 5-(4-chlorophenyl)-3-hydroxy-2-(1-oxobutyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.086622104 u |
| Formula | C16H17ClO3 |
| InChI | InChI=1S/C16H17ClO3/c1-2-3-13(18)16-14(19)8-11(9-15(16)20)10-4-6-12(17)7-5-10/h4-7,11,19H,2-3,8-9H2,1H3 |
| InChIKey | KBTUOMOLRPXHQV-UHFFFAOYSA-N |
| SMILES | OC1=C(C(CC(C2=CC=C(C=C2)Cl)C1)=O)C(CCC)=O |