| SpectraBase Compound ID | LMHlHVCDidn |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-2-10-6-8-11(9-7-10)4-3-5-12(13)14/h6-9H,2-5H2,1H3,(H,13,14) |
| InChIKey | IDXWSFCOUZYCMF-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 | LUxDC0ZjvCy |
|---|---|
| Name | 4-(4-Ethylphenyl)butanoic acid |
| 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/c1-2-10-6-8-11(9-7-10)4-3-5-12(13)14/h6-9H,2-5H2,1H3,(H,13,14) |
| InChIKey | IDXWSFCOUZYCMF-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C(O)(=O)CCCC1=CC=C(C=C1)CC |