| SpectraBase Compound ID | F3m5zeHdLAT |
|---|---|
| InChI | InChI=1S/C13H16O2/c14-13(12-8-4-5-9-12)15-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2 |
| InChIKey | DNBHXBWIWOADBL-UHFFFAOYSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C13H16O2 |
| Exact Mass | 204.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kf7d4AldhhD |
|---|---|
| Name | Cyclopentanecarboxylic acid, benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.115029753 u |
| Formula | C13H16O2 |
| InChI | InChI=1S/C13H16O2/c14-13(12-8-4-5-9-12)15-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2 |
| InChIKey | DNBHXBWIWOADBL-UHFFFAOYSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | C1CCC(C1)C(=O)OCC1=CC=CC=C1 |