| SpectraBase Compound ID | 5N9F6MqJjDf |
|---|---|
| InChI | InChI=1S/C14H20O3/c1-3-4-5-6-14(15)17-11-12-7-9-13(16-2)10-8-12/h7-10H,3-6,11H2,1-2H3 |
| InChIKey | IDNYDOYPAOXMOC-UHFFFAOYSA-N |
| Mol Weight | 236.31 g/mol |
| Molecular Formula | C14H20O3 |
| Exact Mass | 236.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D43KtXp21Xj |
|---|---|
| Name | Hexanoic acid, (4-methoxyphenyl)methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.141244501 u |
| Formula | C14H20O3 |
| InChI | InChI=1S/C14H20O3/c1-3-4-5-6-14(15)17-11-12-7-9-13(16-2)10-8-12/h7-10H,3-6,11H2,1-2H3 |
| InChIKey | IDNYDOYPAOXMOC-UHFFFAOYSA-N |
| Molecular Weight | 236.311 g/mol |
| SMILES | COC1=CC=C(C=C1)COC(=O)CCCCC |