| SpectraBase Compound ID | 8Ik6OVVm9e4 |
|---|---|
| InChI | InChI=1S/C15H10O3/c1-2-11-3-7-13(8-4-11)18-14-9-5-12(6-10-14)15(16)17/h1,3-10H,(H,16,17) |
| InChIKey | BDUAPOHFYNDWTH-UHFFFAOYSA-N |
| Mol Weight | 238.24 g/mol |
| Molecular Formula | C15H10O3 |
| Exact Mass | 238.062994 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H4A7ArtLdWz |
|---|---|
| Name | 4-(4-Ethynylphenoxy) benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.062994179 u |
| Formula | C15H10O3 |
| InChI | InChI=1S/C15H10O3/c1-2-11-3-7-13(8-4-11)18-14-9-5-12(6-10-14)15(16)17/h1,3-10H,(H,16,17) |
| InChIKey | BDUAPOHFYNDWTH-UHFFFAOYSA-N |
| Molecular Weight | 238.242 g/mol |
| SMILES | C(C=1C=CC(OC=2C=CC(C#C)=CC2)=CC1)(=O)O |