| SpectraBase Compound ID | KAGDQuCxPSY |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-2-3-11(13)9-4-6-10(7-5-9)16-8-12(14)15/h4-7H,2-3,8H2,1H3,(H,14,15) |
| InChIKey | QCIXWKODSWAQBX-UHFFFAOYSA-N |
| Mol Weight | 222.24 g/mol |
| Molecular Formula | C12H14O4 |
| Exact Mass | 222.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FKJquWoSTAe |
|---|---|
| Name | (p-Butyrylphenoxy)acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.089208927 u |
| Formula | C12H14O4 |
| InChI | InChI=1S/C12H14O4/c1-2-3-11(13)9-4-6-10(7-5-9)16-8-12(14)15/h4-7H,2-3,8H2,1H3,(H,14,15) |
| InChIKey | QCIXWKODSWAQBX-UHFFFAOYSA-N |
| Molecular Weight | 222.240 g/mol |
| SMILES | C1(=CC=C(C=C1)OCC(O)=O)C(CCC)=O |