| SpectraBase Compound ID | DVAD5Co7xfQ |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-2-3-4-10-5-7-11(8-6-10)15-9-12(13)14/h5-8H,2-4,9H2,1H3,(H,13,14) |
| InChIKey | YLXNRZWVNDMYSJ-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 62fNjXPtVsV |
|---|---|
| Name | (p-Butylphenoxy)acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.109944372 u |
| Formula | C12H16O3 |
| InChI | InChI=1S/C12H16O3/c1-2-3-4-10-5-7-11(8-6-10)15-9-12(13)14/h5-8H,2-4,9H2,1H3,(H,13,14) |
| InChIKey | YLXNRZWVNDMYSJ-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C1=C(C=CC(=C1)OCC(O)=O)CCCC |