| SpectraBase Compound ID | 7xdEOGHZaMc |
|---|---|
| InChI | InChI=1S/C13H14O/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4H2,1H3 |
| InChIKey | HSFBJUJAIDNREV-UHFFFAOYSA-N |
| Mol Weight | 186.25 g/mol |
| Molecular Formula | C13H14O |
| Exact Mass | 186.104465 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3WMEyTxeE4 |
|---|---|
| Name | 1-Phenylhept-2-yn-1-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H14O |
| InChI | InChI=1S/C13H14O/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4H2,1H3 |
| InChIKey | HSFBJUJAIDNREV-UHFFFAOYSA-N |
| Molecular Weight | 186.254 g/mol |
| SMILES | C(#CCCCC)C(=O)c1ccccc1 |
| SPLASH | splash10-0a6u-2900000000-017aced6c407497b193c |
| Source of Spectrum | SO-0-875-3 |
| Synonyms | 1-Phenyl-2-heptyn-1-one |
| Wiley ID | 874705 |