| SpectraBase Compound ID | CUEf2MIde5L |
|---|---|
| InChI | InChI=1S/C11H18O3/c1-11(2)8(7-10(13)14-3)5-4-6-9(11)12/h8H,4-7H2,1-3H3 |
| InChIKey | XWGYQBHYSYMTDU-UHFFFAOYSA-N |
| Mol Weight | 198.26 g/mol |
| Molecular Formula | C11H18O3 |
| Exact Mass | 198.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I3zcu6wgkuR |
|---|---|
| Name | 2-(2,2-Dimethyl-3-oxocyclohexyl)acetic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.125594437 u |
| Formula | C11H18O3 |
| InChI | InChI=1S/C11H18O3/c1-11(2)8(7-10(13)14-3)5-4-6-9(11)12/h8H,4-7H2,1-3H3 |
| InChIKey | XWGYQBHYSYMTDU-UHFFFAOYSA-N |
| Molecular Weight | 198.262 g/mol |
| SMILES | C1(C(CC(=O)OC)CCCC1=O)(C)C |