| SpectraBase Compound ID | 9c8Agffb6OM |
|---|---|
| InChI | InChI=1S/C8H12O/c1-4-5-8(9)6-7(2)3/h4-6H,1-3H3/b5-4+ |
| InChIKey | NDIQNZBBNBMLMR-SNAWJCMRSA-N |
| Mol Weight | 124.18 g/mol |
| Molecular Formula | C8H12O |
| Exact Mass | 124.088815 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DH699EgzcHo |
|---|---|
| Name | (5E)-2-Methylhepta-2,5-dien-4-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H12O |
| InChI | InChI=1S/C8H12O/c1-4-5-8(9)6-7(2)3/h4-6H,1-3H3/b5-4+ |
| InChIKey | NDIQNZBBNBMLMR-SNAWJCMRSA-N |
| Molecular Weight | 124.183 g/mol |
| SMILES | CC(=CC(\C=C\C)=O)C |
| SPLASH | splash10-0a4r-9300000000-511194b84840cf26fe20 |
| Source of Spectrum | K-2001-440-15 |
| Synonyms | (5E)-2-methyl-4-hepta-2,5-dienone |
| Wiley ID | 1578624 |