| SpectraBase Compound ID | 8TfwDWSNXNX |
|---|---|
| InChI | InChI=1S/C12H12O/c1-3-12(13)9-8-11-6-4-10(2)5-7-11/h4-7H,3H2,1-2H3 |
| InChIKey | JMZAPZQSJCYLEB-UHFFFAOYSA-N |
| Mol Weight | 172.23 g/mol |
| Molecular Formula | C12H12O |
| Exact Mass | 172.088815 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KXaAg7hAVLS |
|---|---|
| Name | 1-(4-Methylphenyl)-1-pentyn-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H12O |
| InChI | InChI=1S/C12H12O/c1-3-12(13)9-8-11-6-4-10(2)5-7-11/h4-7H,3H2,1-2H3 |
| InChIKey | JMZAPZQSJCYLEB-UHFFFAOYSA-N |
| Molecular Weight | 172.227 g/mol |
| SMILES | C(#CC(CC)=O)c1ccc(cc1)C |
| SPLASH | splash10-0006-0900000000-dc3df3353ff7c91c1627 |
| Source of Spectrum | QC-10-1169-5 |
| Synonyms | 1-(4-Methylphenyl)pent-1-yn-3-one |
| Wiley ID | 871209 |