![2-Butanone, 4-[2,6,6-trimethyl-3-(1-methylethoxy)-1-cyclohexen-1-yl]-, (.+-.)-](/api/spectrum/KJz8YpElPPY/structure.png?h=300&w=458 "2-Butanone, 4-[2,6,6-trimethyl-3-(1-methylethoxy)-1-cyclohexen-1-yl]-, (.+-.)-")
| SpectraBase Compound ID | B0SdGnFLV4U |
|---|---|
| InChI | InChI=1S/C16H28O2/c1-11(2)18-15-9-10-16(5,6)14(13(15)4)8-7-12(3)17/h11,15H,7-10H2,1-6H3 |
| InChIKey | BWUCXRXIAHWSDH-UHFFFAOYSA-N |
| Mol Weight | 252.4 g/mol |
| Molecular Formula | C16H28O2 |
| Exact Mass | 252.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KJz8YpElPPY |
|---|---|
| Name | 2-Butanone, 4-[2,6,6-trimethyl-3-(1-methylethoxy)-1-cyclohexen-1-yl]-, (.+-.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.208930140 u |
| Formula | C16H28O2 |
| InChI | InChI=1S/C16H28O2/c1-11(2)18-15-9-10-16(5,6)14(13(15)4)8-7-12(3)17/h11,15H,7-10H2,1-6H3 |
| InChIKey | BWUCXRXIAHWSDH-UHFFFAOYSA-N |
| Molecular Weight | 252.398 g/mol |
| SMILES | C1(=C(C(OC(C)C)CCC1(C)C)C)CCC(=O)C |