| SpectraBase Compound ID | 7MhsO1a7Du8 |
|---|---|
| InChI | InChI=1S/C16H24O2/c1-3-5-9-14(4-2)13-18-16(17)12-15-10-7-6-8-11-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3 |
| InChIKey | SRROIWIAORYOOB-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 | 4xvNIUbjVhx |
|---|---|
| Name | Phenylacetic acid, 2-ethylhexyl ester |
| 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/c1-3-5-9-14(4-2)13-18-16(17)12-15-10-7-6-8-11-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3 |
| InChIKey | SRROIWIAORYOOB-UHFFFAOYSA-N |
| Molecular Weight | 248.366 g/mol |
| SMILES | C(COC(CC=1C=CC=CC1)=O)(CCCC)CC |