| SpectraBase Compound ID | 2oHRw2g4Lvf |
|---|---|
| InChI | InChI=1S/C14H20O2/c1-3-5-11-16-14(15)13-9-7-12(6-4-2)8-10-13/h7-10H,3-6,11H2,1-2H3 |
| InChIKey | KSNCRXKXKCRVEO-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 | JMcvF69biCE |
|---|---|
| Name | Benzoic acid, 4-propyl-, butyl 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/c1-3-5-11-16-14(15)13-9-7-12(6-4-2)8-10-13/h7-10H,3-6,11H2,1-2H3 |
| InChIKey | KSNCRXKXKCRVEO-UHFFFAOYSA-N |
| Molecular Weight | 220.312 g/mol |
| SMILES | C(OCCCC)(=O)C1=CC=C(CCC)C=C1 |