| SpectraBase Compound ID | 1nq0wrVIrhy |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-3-11-5-7-12(8-6-11)13(14)16-10-9-15-4-2/h5-8H,3-4,9-10H2,1-2H3 |
| InChIKey | GNSBWXDRNLXTBA-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CMzICtpI6R |
|---|---|
| Name | 4-Ethylbenzoic acid, 2-ethoxyethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.125594437 u |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-3-11-5-7-12(8-6-11)13(14)16-10-9-15-4-2/h5-8H,3-4,9-10H2,1-2H3 |
| InChIKey | GNSBWXDRNLXTBA-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C(C1=CC=C(C=C1)CC)(OCCOCC)=O |