| SpectraBase Compound ID | KreGIAb95kH |
|---|---|
| InChI | InChI=1S/C15H22O2/c1-2-3-4-8-13-17-15(16)12-11-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3 |
| InChIKey | QEZQCYPWLDTKCO-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 | KA4vlgRdMAw |
|---|---|
| Name | Benzenepropanoic acid, hexyl 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/c1-2-3-4-8-13-17-15(16)12-11-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3 |
| InChIKey | QEZQCYPWLDTKCO-UHFFFAOYSA-N |
| Molecular Weight | 234.339 g/mol |
| SMILES | C1=CC(CCC(OCCCCCC)=O)=CC=C1 |