| SpectraBase Compound ID | Ajj73G6pbNc |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-3-6-11(12)13-10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3 |
| InChIKey | MSZIFHJZHDLYCE-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 | IaRSxF4FCVa |
|---|---|
| Name | Butanoic acid, 2-methylphenyl 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/c1-3-6-11(12)13-10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3 |
| InChIKey | MSZIFHJZHDLYCE-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | C(C)CC(OC1=CC=CC=C1C)=O |