| SpectraBase Compound ID | CXlA6NOxaGu |
|---|---|
| InChI | InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h3H,1,4-6H2,2H3 |
| InChIKey | JJVHJHWEVLXYCJ-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 | FzhBeGr2lwR |
|---|---|
| Name | 6-Hepten-2-one |
| Alternate Name(s) | Hept-6-en-2-one |
| CAS Registry Number | 21889-88-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h3H,1,4-6H2,2H3 |
| InChIKey | JJVHJHWEVLXYCJ-UHFFFAOYSA-N |
| Molecular Weight | 112.172 g/mol |
| SMILES | C(C=C)CCC(C)=O |
| SPLASH | splash10-0596-9000000000-f626448d3e192938e41f |
| Source of Spectrum | B-48-1827-0 |
| Wiley ID | 1123514 |