| SpectraBase Compound ID | 6SwHdZpyg2X |
|---|---|
| InChI | InChI=1S/C8H14O/c1-4-5-6-8(9)7(2)3/h4,7H,1,5-6H2,2-3H3 |
| InChIKey | NJAYZISKWWQCJX-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 | Blea3nhndgW |
|---|---|
| Name | 2-Methylhept-6-en-3-one |
| 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/h4,7H,1,5-6H2,2-3H3 |
| InChIKey | NJAYZISKWWQCJX-UHFFFAOYSA-N |
| Molecular Weight | 126.199 g/mol |
| SMILES | CC(C(CCC=C)=O)C |