| SpectraBase Compound ID | 6OXagsEkEJz |
|---|---|
| InChI | InChI=1S/C12H18O/c1-5-10-11(8(2)3)7-6-9(4)12(10)13/h6,10-11H,2,5,7H2,1,3-4H3/t10?,11-/m0/s1 |
| InChIKey | XMOHDOVVLKDMAS-DTIOYNMSSA-N |
| Mol Weight | 178.27 g/mol |
| Molecular Formula | C12H18O |
| Exact Mass | 178.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4kezHTBYTwD |
|---|---|
| Name | 2-Cyclohexen-1-one, 6-ethyl-2-methyl-5-(1-methylethenyl)-, (5R)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.135765199 u |
| Formula | C12H18O |
| InChI | InChI=1S/C12H18O/c1-5-10-11(8(2)3)7-6-9(4)12(10)13/h6,10-11H,2,5,7H2,1,3-4H3/t10?,11-/m0/s1 |
| InChIKey | XMOHDOVVLKDMAS-DTIOYNMSSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C1(C([C@](C(=C)C)(CC=C1C)[H])CC)=O |