| SpectraBase Compound ID | IolN4aLaErs |
|---|---|
| InChI | InChI=1S/C17H18O2/c1-2-14-8-10-16(11-9-14)17(18)19-13-12-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3 |
| InChIKey | HEKLZTHZHYIZKR-UHFFFAOYSA-N |
| Mol Weight | 254.33 g/mol |
| Molecular Formula | C17H18O2 |
| Exact Mass | 254.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JNeZoBnHnjb |
|---|---|
| Name | 4-Ethylbenzoic acid, 2-phenylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.130679818 u |
| Formula | C17H18O2 |
| InChI | InChI=1S/C17H18O2/c1-2-14-8-10-16(11-9-14)17(18)19-13-12-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3 |
| InChIKey | HEKLZTHZHYIZKR-UHFFFAOYSA-N |
| Molecular Weight | 254.329 g/mol |
| SMILES | C1=CC=CC=C1CCOC(C1=CC=C(C=C1)CC)=O |