| SpectraBase Compound ID | 15cKcH12Lxr |
|---|---|
| InChI | InChI=1S/C16H22O3/c1-12(8-7-11-15(17)19-3)16(18)13(2)14-9-5-4-6-10-14/h4-6,9-10,12-13H,7-8,11H2,1-3H3 |
| InChIKey | DDERNOBFKXELIC-UHFFFAOYSA-N |
| Mol Weight | 262.35 g/mol |
| Molecular Formula | C16H22O3 |
| Exact Mass | 262.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 54M0TfAwUom |
|---|---|
| Name | Methyl 5-(2-phenylpropionyl)hexanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.156894565 u |
| Formula | C16H22O3 |
| InChI | InChI=1S/C16H22O3/c1-12(8-7-11-15(17)19-3)16(18)13(2)14-9-5-4-6-10-14/h4-6,9-10,12-13H,7-8,11H2,1-3H3 |
| InChIKey | DDERNOBFKXELIC-UHFFFAOYSA-N |
| Molecular Weight | 262.349 g/mol |
| SMILES | C1=CC(=CC=C1)C(C(=O)C(CCCC(OC)=O)C)C |