| SpectraBase Compound ID | 9N9EYJSxBYF |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-4-5-12(13)14-11-7-9(2)6-10(3)8-11/h6-8H,4-5H2,1-3H3 |
| InChIKey | ARQBYJXHHMRZOF-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1DKRY59rvQF |
|---|---|
| Name | Butyric acid, 3,5-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.115029753 u |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-4-5-12(13)14-11-7-9(2)6-10(3)8-11/h6-8H,4-5H2,1-3H3 |
| InChIKey | ARQBYJXHHMRZOF-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | CCCC(=O)OC1=CC(C)=CC(C)=C1 |