| SpectraBase Compound ID | BvfaqkR3lwA |
|---|---|
| InChI | InChI=1S/C15H22O2/c1-4-5-6-7-15(16)17-14-10-8-13(9-11-14)12(2)3/h8-12H,4-7H2,1-3H3 |
| InChIKey | KORNFABZZDNFHU-UHFFFAOYSA-N |
| Mol Weight | 234.34 g/mol |
| Molecular Formula | C15H22O2 |
| Exact Mass | 234.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1b1ZuWmesXZ |
|---|---|
| Name | Hexanoic acid, 4-isopropylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.161979946 u |
| Formula | C15H22O2 |
| InChI | InChI=1S/C15H22O2/c1-4-5-6-7-15(16)17-14-10-8-13(9-11-14)12(2)3/h8-12H,4-7H2,1-3H3 |
| InChIKey | KORNFABZZDNFHU-UHFFFAOYSA-N |
| Molecular Weight | 234.339 g/mol |
| SMILES | C(CCCCC)(=O)OC1=CC=C(C(C)C)C=C1 |