| SpectraBase Compound ID | 6dn4l1Z0Pc8 |
|---|---|
| InChI | InChI=1S/C13H16/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5H2,1H3 |
| InChIKey | MDKGOJZZRHBMQU-UHFFFAOYSA-N |
| Mol Weight | 172.27 g/mol |
| Molecular Formula | C13H16 |
| Exact Mass | 172.125201 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5I6xUNMkIbr |
|---|---|
| Name | 1-Heptynylbenzene |
| CAS Registry Number | 14374-45-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H16 |
| InChI | InChI=1S/C13H16/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5H2,1H3 |
| InChIKey | MDKGOJZZRHBMQU-UHFFFAOYSA-N |
| Molecular Weight | 172.271 g/mol |
| SMILES | c1cc(ccc1)C#CCCCCC |
| SPLASH | splash10-016r-3900000000-d70a3b857bc76fdf29ce |
| Synonyms | 1-Phenyl-1-heptyne Benzene, 1-heptynyl- Hept-1-ynylbenzene |
| Wiley ID | 1497356 |