| SpectraBase Compound ID | Iapb9vCyT7c |
|---|---|
| InChI | InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h3-4H,5-6H2,1-2H3/b4-3+ |
| InChIKey | RTYRONIMTRDBLT-ONEGZZNKSA-N |
| Mol Weight | 112.17 g/mol |
| Molecular Formula | C7H12O |
| Exact Mass | 112.088815 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | vwTLH0KPhS |
|---|---|
| Name | (E)-hept-5-en-2-one |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h3-4H,5-6H2,1-2H3/b4-3+ |
| InChIKey | RTYRONIMTRDBLT-ONEGZZNKSA-N |
| Molecular Weight | 112.172 g/mol |
| SMILES | CC(CC\C=C\C)=O |
| SPLASH | splash10-052f-9100000000-348db332a841fd5a78fa |
| Source of Spectrum | Mariana Gil, et al. Phytochemistry, 10.1016/j.phytochem.2013.08.011 |
| Wiley ID | 1817179 |