| SpectraBase Compound ID | JGXHT0bAq38 |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-3-4-11(12)13-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3 |
| InChIKey | RRXBRABFDRJAPX-UHFFFAOYSA-N |
| Mol Weight | 178.23 g/mol |
| Molecular Formula | C11H14O2 |
| Exact Mass | 178.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5wK4hLF4e2A |
|---|---|
| Name | Butyric acid, p-tolyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.099379689 u |
| Formula | C11H14O2 |
| InChI | InChI=1S/C11H14O2/c1-3-4-11(12)13-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3 |
| InChIKey | RRXBRABFDRJAPX-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | C=1C(=CC=C(C1)C)OC(CCC)=O |