| SpectraBase Compound ID | LMtJuchvvW |
|---|---|
| InChI | InChI=1S/C17H24O3/c1-13(2)19-15-9-5-6-10-16(15)20-17(18)12-11-14-7-3-4-8-14/h5-6,9-10,13-14H,3-4,7-8,11-12H2,1-2H3 |
| InChIKey | QIBWYVMYNQHRFK-UHFFFAOYSA-N |
| Mol Weight | 276.38 g/mol |
| Molecular Formula | C17H24O3 |
| Exact Mass | 276.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1nTFZxYu6eu |
|---|---|
| Name | 3-Cyclopentylpropionic acid, 2-isopropoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.172544630 u |
| Formula | C17H24O3 |
| InChI | InChI=1S/C17H24O3/c1-13(2)19-15-9-5-6-10-16(15)20-17(18)12-11-14-7-3-4-8-14/h5-6,9-10,13-14H,3-4,7-8,11-12H2,1-2H3 |
| InChIKey | QIBWYVMYNQHRFK-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC=C1OC(C)C)OC(=O)CCC1CCCC1 |