| SpectraBase Compound ID | 9mYZFeSDgxU |
|---|---|
| InChI | InChI=1S/C8H14O/c1-4-5-6-8(9)7(2)3/h2,4-6H2,1,3H3 |
| InChIKey | LXSZBHUGHMTGQC-UHFFFAOYSA-N |
| Mol Weight | 126.2 g/mol |
| Molecular Formula | C8H14O |
| Exact Mass | 126.104465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LGXpDKNRrXe |
|---|---|
| Name | 1-Hepten-3-one, 2-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.104465070 u |
| Formula | C8H14O |
| InChI | InChI=1S/C8H14O/c1-4-5-6-8(9)7(2)3/h2,4-6H2,1,3H3 |
| InChIKey | LXSZBHUGHMTGQC-UHFFFAOYSA-N |
| Molecular Weight | 126.199 g/mol |
| SMILES | C(C(=O)CCCC)(=C)C |