| SpectraBase Compound ID | 4o3ntJnAngD |
|---|---|
| InChI | InChI=1S/C13H16O3/c1-15-11-6-8-12(9-7-11)16-13(14)10-4-2-3-5-10/h6-10H,2-5H2,1H3 |
| InChIKey | ORMAVLLFHICVKM-UHFFFAOYSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C13H16O3 |
| Exact Mass | 220.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 72kMXur5qrj |
|---|---|
| Name | Cyclopentanecarboxylic acid, 4-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.109944372 u |
| Formula | C13H16O3 |
| InChI | InChI=1S/C13H16O3/c1-15-11-6-8-12(9-7-11)16-13(14)10-4-2-3-5-10/h6-10H,2-5H2,1H3 |
| InChIKey | ORMAVLLFHICVKM-UHFFFAOYSA-N |
| Molecular Weight | 220.268 g/mol |
| SMILES | C1CC(C(=O)OC2=CC=C(OC)C=C2)CC1 |