| SpectraBase Compound ID | 9bFG49TWOpC |
|---|---|
| InChI | InChI=1S/C8H14O/c1-4-5-7(2)6-8(3)9/h6H,4-5H2,1-3H3/b7-6+ |
| InChIKey | URFGREAPSNSHAH-VOTSOKGWSA-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 | slpHfH3OPg |
|---|---|
| Name | 3-Hepten-2-one, 4-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/c1-4-5-7(2)6-8(3)9/h6H,4-5H2,1-3H3/b7-6+ |
| InChIKey | URFGREAPSNSHAH-VOTSOKGWSA-N |
| Molecular Weight | 126.199 g/mol |
| SMILES | C(\C(=C\C(C)=O)C)CC |