| SpectraBase Compound ID | 5YLdn67CaRF |
|---|---|
| InChI | InChI=1S/C7H12O/c1-3-5-6-7(8)4-2/h4H,2-3,5-6H2,1H3 |
| InChIKey | OYLCUJRJCUXQBQ-UHFFFAOYSA-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 | AJoDeQFvBxk |
|---|---|
| Name | 1-Hepten-3-one |
| Alternate Name(s) | Hept-1-en-3-one |
| CAS Registry Number | 2918-13-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-3-5-6-7(8)4-2/h4H,2-3,5-6H2,1H3 |
| InChIKey | OYLCUJRJCUXQBQ-UHFFFAOYSA-N |
| Molecular Weight | 112.172 g/mol |
| SMILES | C(C(=O)CCCC)=C |
| SPLASH | splash10-0006-9000000000-e23f4ba190adcb9ea06d |
| Source of Spectrum | KC-0-942-23 |
| Wiley ID | 828315 |