| SpectraBase Compound ID | KxKpsaPkXfT |
|---|---|
| InChI | InChI=1S/C19H14O2/c1-15-11-13-16(14-12-15)7-3-4-8-17-9-5-6-10-18(17)19(20)21-2/h5-6,9-14H,1-2H3 |
| InChIKey | YDUVTVYTJPGSDQ-UHFFFAOYSA-N |
| Mol Weight | 274.32 g/mol |
| Molecular Formula | C19H14O2 |
| Exact Mass | 274.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GCNU8DvGHHn |
|---|---|
| Name | Methyl 2-(4-tolylbuta-1,3-diynyl)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.099379689 u |
| Formula | C19H14O2 |
| InChI | InChI=1S/C19H14O2/c1-15-11-13-16(14-12-15)7-3-4-8-17-9-5-6-10-18(17)19(20)21-2/h5-6,9-14H,1-2H3 |
| InChIKey | YDUVTVYTJPGSDQ-UHFFFAOYSA-N |
| Molecular Weight | 274.319 g/mol |
| SMILES | C1=CC(=C(C=C1)C#CC#CC1=CC=C(C=C1)C)C(=O)OC |