| SpectraBase Compound ID | 4AXurbUALDr |
|---|---|
| InChI | InChI=1S/C7H6O/c1-3-5-6-7(8)4-2/h1H,4H2,2H3 |
| InChIKey | TXQOFPBBUQTJSD-UHFFFAOYSA-N |
| Mol Weight | 106.12 g/mol |
| Molecular Formula | C7H6O |
| Exact Mass | 106.041865 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FYDAqQ0aRI8 |
|---|---|
| Name | 4,6-Heptadiyn-3-one |
| Alternate Name(s) | 3-Hepta-4,6-diynone Hepta-4,6-diyn-3-one |
| CAS Registry Number | 29743-27-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H6O |
| InChI | InChI=1S/C7H6O/c1-3-5-6-7(8)4-2/h1H,4H2,2H3 |
| InChIKey | TXQOFPBBUQTJSD-UHFFFAOYSA-N |
| Molecular Weight | 106.124 g/mol |
| SMILES | C(C(CC)=O)#CC#C |
| SPLASH | splash10-004i-9000000000-3df674428a013c11028d |
| Source of Spectrum | O-3-1068-2 |
| Wiley ID | 1121375 |