| SpectraBase Compound ID | G1zbbFxfvJq |
|---|---|
| InChI | InChI=1S/C16H18O2/c1-4-18-15(17)16(2,3)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,4H2,1-3H3 |
| InChIKey | JLYWWQWYGRWWCR-UHFFFAOYSA-N |
| Mol Weight | 242.32 g/mol |
| Molecular Formula | C16H18O2 |
| Exact Mass | 242.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9YomRnBX2Wg |
|---|---|
| Name | 2-Methyl-2-phenpropionic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.130679818 u |
| Formula | C16H18O2 |
| InChI | InChI=1S/C16H18O2/c1-4-18-15(17)16(2,3)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,4H2,1-3H3 |
| InChIKey | JLYWWQWYGRWWCR-UHFFFAOYSA-N |
| Molecular Weight | 242.318 g/mol |
| SMILES | C1=CC=CC2=C1C(=CC=C2)C(C)(C)C(OCC)=O |