| SpectraBase Compound ID | Gkco81MYOh6 |
|---|---|
| InChI | InChI=1S/C15H24O3/c1-11-7-6-10-15(2,3)12(11)8-9-13(16)14(17-4)18-5/h7-9,12,14H,6,10H2,1-5H3/b9-8+ |
| InChIKey | RXUJJCKVSPDQBM-CMDGGOBGSA-N |
| Mol Weight | 252.35 g/mol |
| Molecular Formula | C15H24O3 |
| Exact Mass | 252.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 10kMAAx4G27 |
|---|---|
| Name | 1,1-Dimethoxy-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.172544630 u |
| Formula | C15H24O3 |
| InChI | InChI=1S/C15H24O3/c1-11-7-6-10-15(2,3)12(11)8-9-13(16)14(17-4)18-5/h7-9,12,14H,6,10H2,1-5H3/b9-8+ |
| InChIKey | RXUJJCKVSPDQBM-CMDGGOBGSA-N |
| Molecular Weight | 252.354 g/mol |
| SMILES | C1(\C=C\C(C(OC)OC)=O)C(=CCCC1(C)C)C |