| SpectraBase Compound ID | 8YfLmqIsreJ |
|---|---|
| InChI | InChI=1S/C16H24O2/c1-3-5-11-15(4-2)16(17)18-13-12-14-9-7-6-8-10-14/h6-10,15H,3-5,11-13H2,1-2H3 |
| InChIKey | DLUUSIFAGWCEES-UHFFFAOYSA-N |
| Mol Weight | 248.37 g/mol |
| Molecular Formula | C16H24O2 |
| Exact Mass | 248.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GOZBwIUPtKy |
|---|---|
| Name | Phenylethyl 2-ethylhexanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.177630011 u |
| Formula | C16H24O2 |
| InChI | InChI=1S/C16H24O2/c1-3-5-11-15(4-2)16(17)18-13-12-14-9-7-6-8-10-14/h6-10,15H,3-5,11-13H2,1-2H3 |
| InChIKey | DLUUSIFAGWCEES-UHFFFAOYSA-N |
| Molecular Weight | 248.366 g/mol |
| SMILES | C(C(CCCC)CC)(=O)OCCC1=CC=CC=C1 |