| SpectraBase Compound ID | JHywhOCmIft |
|---|---|
| InChI | InChI=1S/C14H18O2/c1-10-7-8-13(9-11(10)2)16-14(15)12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3 |
| InChIKey | YOUZMCSNFPXUAI-UHFFFAOYSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C14H18O2 |
| Exact Mass | 218.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HY1pMnVlLBe |
|---|---|
| Name | Cyclopentanecarboxylic acid,3,4-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.130679818 u |
| Formula | C14H18O2 |
| InChI | InChI=1S/C14H18O2/c1-10-7-8-13(9-11(10)2)16-14(15)12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3 |
| InChIKey | YOUZMCSNFPXUAI-UHFFFAOYSA-N |
| Molecular Weight | 218.296 g/mol |
| SMILES | C(C1CCCC1)(=O)OC=1C=CC(C)=C(C)C1 |