| SpectraBase Compound ID | GnQRdhTwhiH |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-3-4-10-5-7-11(8-6-10)15-9(2)12(13)14/h5-9H,3-4H2,1-2H3,(H,13,14) |
| InChIKey | BCGAQLXZWYPDCJ-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 | CsCe9g2WtuF |
|---|---|
| Name | 2-(4-Propylphenoxy)propanoic 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/c1-3-4-10-5-7-11(8-6-10)15-9(2)12(13)14/h5-9H,3-4H2,1-2H3,(H,13,14) |
| InChIKey | BCGAQLXZWYPDCJ-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C(OC1=CC=C(C=C1)CCC)(C)C(=O)O |