| SpectraBase Compound ID | 2DTlmwlZASQ |
|---|---|
| InChI | InChI=1S/C14H18O4/c1-2-3-10-18-12-6-4-11(5-7-12)13(15)8-9-14(16)17/h4-7H,2-3,8-10H2,1H3,(H,16,17) |
| InChIKey | ONTSRRHNDXFIRG-UHFFFAOYSA-N |
| Mol Weight | 250.29 g/mol |
| Molecular Formula | C14H18O4 |
| Exact Mass | 250.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6eMk3FmUmL3 |
|---|---|
| Name | 4-(4-Butoxyphenyl)-4-oxobutyric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.120509056 u |
| Formula | C14H18O4 |
| InChI | InChI=1S/C14H18O4/c1-2-3-10-18-12-6-4-11(5-7-12)13(15)8-9-14(16)17/h4-7H,2-3,8-10H2,1H3,(H,16,17) |
| InChIKey | ONTSRRHNDXFIRG-UHFFFAOYSA-N |
| Molecular Weight | 250.294 g/mol |
| SMILES | C(C1=CC=C(C=C1)OCCCC)(=O)CCC(=O)O |