| SpectraBase Compound ID | 6mgCUHGCwD3 |
|---|---|
| InChI | InChI=1S/C16H18O3/c1-16(2)10-13(17)9-14(11-16)19-15(18)8-12-6-4-3-5-7-12/h3-7,9H,8,10-11H2,1-2H3 |
| InChIKey | MSSIBBPHNXSYTM-UHFFFAOYSA-N |
| Mol Weight | 258.32 g/mol |
| Molecular Formula | C16H18O3 |
| Exact Mass | 258.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FcP9Nt9WpbK |
|---|---|
| Name | Phenyl (5,5-dimethyl-3-oxo-1-cyclohexen-1-ylacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.125594437 u |
| Formula | C16H18O3 |
| InChI | InChI=1S/C16H18O3/c1-16(2)10-13(17)9-14(11-16)19-15(18)8-12-6-4-3-5-7-12/h3-7,9H,8,10-11H2,1-2H3 |
| InChIKey | MSSIBBPHNXSYTM-UHFFFAOYSA-N |
| Molecular Weight | 258.317 g/mol |
| SMILES | C1(=CC(=O)CC(C1)(C)C)OC(=O)CC=1C=CC=CC1 |