| SpectraBase Compound ID | F5V50HR4Bw |
|---|---|
| InChI | InChI=1S/C8H14O/c1-6(2)5-7(3)8(4)9/h6H,3,5H2,1-2,4H3 |
| InChIKey | AGMJVYMZEAWWND-UHFFFAOYSA-N |
| Mol Weight | 126.2 g/mol |
| Molecular Formula | C8H14O |
| Exact Mass | 126.104465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JDwj4MTTmbE |
|---|---|
| Name | 2-Hexanone, 5-methyl-3-methylene- |
| 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/c1-6(2)5-7(3)8(4)9/h6H,3,5H2,1-2,4H3 |
| InChIKey | AGMJVYMZEAWWND-UHFFFAOYSA-N |
| Molecular Weight | 126.199 g/mol |
| SMILES | C(C(C(C)=O)=C)C(C)C |