| SpectraBase Compound ID | 51PEmCSdi1 |
|---|---|
| InChI | InChI=1S/C13H22O2/c1-2-11-15-13(14)10-6-9-12-7-4-3-5-8-12/h2,12H,1,3-11H2 |
| InChIKey | SIIAEMSHVLJRHI-UHFFFAOYSA-N |
| Mol Weight | 210.32 g/mol |
| Molecular Formula | C13H22O2 |
| Exact Mass | 210.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JFfP6152LSD |
|---|---|
| Name | Cyclohexanebutanoic acid, 2-propenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.161979946 u |
| Formula | C13H22O2 |
| InChI | InChI=1S/C13H22O2/c1-2-11-15-13(14)10-6-9-12-7-4-3-5-8-12/h2,12H,1,3-11H2 |
| InChIKey | SIIAEMSHVLJRHI-UHFFFAOYSA-N |
| Molecular Weight | 210.317 g/mol |
| SMILES | C(=O)(OCC=C)CCCC1CCCCC1 |