| SpectraBase Compound ID | 9nsBDAFruTC |
|---|---|
| InChI | InChI=1S/C14H20O2/c1-12(2)16-14(15)11-7-6-10-13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3 |
| InChIKey | JRLFTYAWQAZIDG-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 | 8Tf7ZUgtWnD |
|---|---|
| Name | 5-Phenylvaleric acid, isopropyl 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/c1-12(2)16-14(15)11-7-6-10-13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3 |
| InChIKey | JRLFTYAWQAZIDG-UHFFFAOYSA-N |
| Molecular Weight | 220.312 g/mol |
| SMILES | C(CCC(OC(C)C)=O)CC=1C=CC=CC1 |