| SpectraBase Compound ID | 9j1QD1DihvD |
|---|---|
| InChI | InChI=1S/C8H16O/c1-4-7(2)5-6-8(3)9/h7H,4-6H2,1-3H3 |
| InChIKey | WYDAUGNQLUXTFB-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 | Jzg6k1F9HcK |
|---|---|
| Name | 2-Heptanone, 5-methyl- |
| 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/c1-4-7(2)5-6-8(3)9/h7H,4-6H2,1-3H3 |
| InChIKey | WYDAUGNQLUXTFB-UHFFFAOYSA-N |
| Molecular Weight | 128.215 g/mol |
| SMILES | C(C(CC)C)CC(C)=O |