| SpectraBase Compound ID | EJd6uspOtwD |
|---|---|
| InChI | InChI=1S/C14H20O2/c1-11(12-8-6-5-7-9-12)13(15)16-10-14(2,3)4/h5-9,11H,10H2,1-4H3 |
| InChIKey | VATXBTGVMKOONH-UHFFFAOYSA-N |
| Mol Weight | 220.31 g/mol |
| Molecular Formula | C14H20O2 |
| Exact Mass | 220.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 29e2fMz5qe9 |
|---|---|
| Name | (.+/-.)-2-phenylpropanoic acid, neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.146329882 u |
| Formula | C14H20O2 |
| InChI | InChI=1S/C14H20O2/c1-11(12-8-6-5-7-9-12)13(15)16-10-14(2,3)4/h5-9,11H,10H2,1-4H3 |
| InChIKey | VATXBTGVMKOONH-UHFFFAOYSA-N |
| Molecular Weight | 220.312 g/mol |
| SMILES | C(C(OCC(C)(C)C)=O)(C)C1=CC=CC=C1 |