| SpectraBase Compound ID | 57qREvae0k3 |
|---|---|
| InChI | InChI=1S/C14H20O2/c1-3-7-12(2)16-14(15)11-10-13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3 |
| InChIKey | DOJIFROFPFMYCJ-UHFFFAOYSA-N |
| Mol Weight | 220.31 g/mol |
| Molecular Formula | C14H20O2 |
| Exact Mass | 220.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EWuwDTZ1fN2 |
|---|---|
| Name | Benzenepropanoic acid, 2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.146329882 u |
| Formula | C14H20O2 |
| InChI | InChI=1S/C14H20O2/c1-3-7-12(2)16-14(15)11-10-13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3 |
| InChIKey | DOJIFROFPFMYCJ-UHFFFAOYSA-N |
| Molecular Weight | 220.312 g/mol |
| SMILES | C1=CC(CCC(=O)OC(CCC)C)=CC=C1 |