| SpectraBase Compound ID | Hg1SSaLdXCI |
|---|---|
| InChI | InChI=1S/C8H16O/c1-4-6-7(3)8(9)5-2/h7H,4-6H2,1-3H3 |
| InChIKey | MVLRILUUXLBENA-UHFFFAOYSA-N |
| Mol Weight | 128.21 g/mol |
| Molecular Formula | C8H16O |
| Exact Mass | 128.120115 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 | 7L9glJRP8ax |
|---|---|
| Name | 4-Methyl-3-heptanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.120115134 u |
| Formula | C8H16O |
| InChI | InChI=1S/C8H16O/c1-4-6-7(3)8(9)5-2/h7H,4-6H2,1-3H3 |
| InChIKey | MVLRILUUXLBENA-UHFFFAOYSA-N |
| Molecular Weight | 128.215 g/mol |
| SMILES | CCCC(C(CC)=O)C |