| SpectraBase Compound ID | 39umCoy8ial |
|---|---|
| InChI | InChI=1S/C14H20O2/c1-11(2)12(3)16-14(15)10-9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3 |
| InChIKey | TVFXOSYAUARACE-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 | 8Ff43A0TQyY |
|---|---|
| Name | 3-Phenylpropionic acid, 3-methylbut-2-yl 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(2)12(3)16-14(15)10-9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3 |
| InChIKey | TVFXOSYAUARACE-UHFFFAOYSA-N |
| Molecular Weight | 220.312 g/mol |
| SMILES | C1(=CC=CC=C1)CCC(=O)OC(C(C)C)C |