| SpectraBase Compound ID | 1gwWCIz3hm1 |
|---|---|
| InChI | InChI=1S/C13H24O3/c1-3-4-5-10-16-13(14)11-6-8-12(15-2)9-7-11/h11-12H,3-10H2,1-2H3 |
| InChIKey | SOQUDWGSKKWGSW-UHFFFAOYSA-N |
| Mol Weight | 228.33 g/mol |
| Molecular Formula | C13H24O3 |
| Exact Mass | 228.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JDqBBb4mJjD |
|---|---|
| Name | Cyclohexanecarboxylic acid, 4-methoxy-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.172544630 u |
| Formula | C13H24O3 |
| InChI | InChI=1S/C13H24O3/c1-3-4-5-10-16-13(14)11-6-8-12(15-2)9-7-11/h11-12H,3-10H2,1-2H3 |
| InChIKey | SOQUDWGSKKWGSW-UHFFFAOYSA-N |
| Molecular Weight | 228.332 g/mol |
| SMILES | C1CC(CCC1OC)C(OCCCCC)=O |