| SpectraBase Compound ID | 6BVhRL6VJrP |
|---|---|
| InChI | InChI=1S/C14H20O2/c1-12(2)11-16-14(15)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3 |
| InChIKey | YIDIILBHCSEKJF-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 | D4ShM4DhVQc |
|---|---|
| Name | Butyric acid, 4-phenyl-, isobutyl 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)11-16-14(15)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3 |
| InChIKey | YIDIILBHCSEKJF-UHFFFAOYSA-N |
| Molecular Weight | 220.312 g/mol |
| SMILES | C(CCCC=1C=CC=CC1)(OCC(C)C)=O |