Ethynylbenzene-13C2 is a labeled form of ethynylbenzene, also known as phenylacetylene, where both carbon atoms in the ethynyl group are replaced with the carbon-13 isotope. This isotopic labeling makes it particularly useful in studies involving chemical reactions, molecular interactions, and materials science. The carbon-13 atoms enhance detection and tracking in NMR spectroscopy and mass spectrometry, allowing researchers to precisely study the behavior and transformation of ethynylbenzene in various chemical processes while retaining the compound’s original chemical properties.
| Catalog Number | R021399 |
| CAS Number | 263012-32-4 |
| Synonyms | 1-Phenylethyne-13C2; Ethynylbenzene-13C2; NSC 4957-13C2; Phenylacetylene-13C2; Phenylethyne-13C2; Ethynyl-1-13C2-benzene; Phenyl[1-13C2]acetylene; |
| Molecular Formula | C8H6 |
| Purity | 95% |
| Storage | -20°C |
| IUPAC Name | ethynylbenzene |
| InChI | InChI=1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H/i1+1,2+1 |
| InChIKey | UEXCJVNBTNXOEH-ZDOIIHCHSA-N |
| SMILES | C#CC1=CC=CC=C1 |
