| SpectraBase Compound ID | J7K8l8KlDn6 |
|---|---|
| InChI | InChI=1S/C14H20O2/c1-3-4-6-11-14(15)16-12(2)13-9-7-5-8-10-13/h5,7-10,12H,3-4,6,11H2,1-2H3 |
| InChIKey | XDNXTDFSRYCZFT-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 | 6ip517zlXXq |
|---|---|
| Name | 1-Phenylethyl hexanoate |
| 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/c1-3-4-6-11-14(15)16-12(2)13-9-7-5-8-10-13/h5,7-10,12H,3-4,6,11H2,1-2H3 |
| InChIKey | XDNXTDFSRYCZFT-UHFFFAOYSA-N |
| Molecular Weight | 220.312 g/mol |
| SMILES | C(CCCCC)(=O)OC(C)C1=CC=CC=C1 |