| SpectraBase Compound ID | EX9ixlXZGAC |
|---|---|
| InChI | InChI=1S/C16H22O2/c1-12-6-5-9-15(13(12)2)18-16(17)11-10-14-7-3-4-8-14/h5-6,9,14H,3-4,7-8,10-11H2,1-2H3 |
| InChIKey | WADHQKLYUCHLGE-UHFFFAOYSA-N |
| Mol Weight | 246.35 g/mol |
| Molecular Formula | C16H22O2 |
| Exact Mass | 246.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2RrB8KaBBVk |
|---|---|
| Name | 3-Cyclopentylpropionic acid, 2,3-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.161979946 u |
| Formula | C16H22O2 |
| InChI | InChI=1S/C16H22O2/c1-12-6-5-9-15(13(12)2)18-16(17)11-10-14-7-3-4-8-14/h5-6,9,14H,3-4,7-8,10-11H2,1-2H3 |
| InChIKey | WADHQKLYUCHLGE-UHFFFAOYSA-N |
| Molecular Weight | 246.350 g/mol |
| SMILES | C(CCC1CCCC1)(OC=1C=CC=C(C)C1C)=O |