| SpectraBase Compound ID | Bxt5V7Q40fd |
|---|---|
| InChI | InChI=1S/C10H18O/c1-4-10(3)7-5-6-8(2)9(10)11/h8H,4-7H2,1-3H3/t8-,10+/m1/s1 |
| InChIKey | SCRIFTYGACPQTF-SCZZXKLOSA-N |
| Mol Weight | 154.25 g/mol |
| Molecular Formula | C10H18O |
| Exact Mass | 154.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6wsZmf1vhxA |
|---|---|
| Name | Cyclohexanone, 2-ethyl-2,6-dimethyl-, trans- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.135765199 u |
| Formula | C10H18O |
| InChI | InChI=1S/C10H18O/c1-4-10(3)7-5-6-8(2)9(10)11/h8H,4-7H2,1-3H3/t8-,10+/m1/s1 |
| InChIKey | SCRIFTYGACPQTF-SCZZXKLOSA-N |
| Molecular Weight | 154.253 g/mol |
| SMILES | C1([C@](CCC[C@]1(C)[H])(CC)C)=O |