| SpectraBase Compound ID | HdgtSweTjOO |
|---|---|
| InChI | InChI=1S/C12H18O3/c1-5-15-11(14)10-8(2)9(13)6-7-12(10,3)4/h5-7H2,1-4H3 |
| InChIKey | JVQVWBASBXLDAQ-UHFFFAOYSA-N |
| Mol Weight | 210.27 g/mol |
| Molecular Formula | C12H18O3 |
| Exact Mass | 210.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1x8XDdmCiR4 |
|---|---|
| Name | 1-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-3-oxo-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.125594437 u |
| Formula | C12H18O3 |
| InChI | InChI=1S/C12H18O3/c1-5-15-11(14)10-8(2)9(13)6-7-12(10,3)4/h5-7H2,1-4H3 |
| InChIKey | JVQVWBASBXLDAQ-UHFFFAOYSA-N |
| Molecular Weight | 210.273 g/mol |
| SMILES | C1(CCC(C(=C1C(OCC)=O)C)=O)(C)C |