| SpectraBase Compound ID | 2CiR6qgu3Q8 |
|---|---|
| InChI | InChI=1S/C17H14O3/c1-12-3-5-13(6-4-12)7-8-14-11-15(17(19)20-2)9-10-16(14)18/h3-6,9-11,18H,1-2H3 |
| InChIKey | UOJIYRZQHLYOEG-UHFFFAOYSA-N |
| Mol Weight | 266.3 g/mol |
| Molecular Formula | C17H14O3 |
| Exact Mass | 266.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hui50fIx24x |
|---|---|
| Name | Methyl 4-hydroxy-3-(p-tolylethynyl)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.094294308 u |
| Formula | C17H14O3 |
| InChI | InChI=1S/C17H14O3/c1-12-3-5-13(6-4-12)7-8-14-11-15(17(19)20-2)9-10-16(14)18/h3-6,9-11,18H,1-2H3 |
| InChIKey | UOJIYRZQHLYOEG-UHFFFAOYSA-N |
| Molecular Weight | 266.296 g/mol |
| SMILES | C=1(C(=O)OC)C=C(C#CC2=CC=C(C=C2)C)C(O)=CC1 |