| SpectraBase Compound ID | GFjiZ3tvyId |
|---|---|
| InChI | InChI=1S/C12H22O/c1-9(2)8-12(6-7-13)11(5)10(3)4/h7,9-10,12H,5-6,8H2,1-4H3 |
| InChIKey | OVMIHXGTPJOXHR-UHFFFAOYSA-N |
| Mol Weight | 182.31 g/mol |
| Molecular Formula | C12H22O |
| Exact Mass | 182.167065 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 | 6IHth2PnsDT |
|---|---|
| Name | 5-Methyl-4-methylidene-3-(2-methylpropyl)hexanal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.167065327 u |
| Formula | C12H22O |
| InChI | InChI=1S/C12H22O/c1-9(2)8-12(6-7-13)11(5)10(3)4/h7,9-10,12H,5-6,8H2,1-4H3 |
| InChIKey | OVMIHXGTPJOXHR-UHFFFAOYSA-N |
| Molecular Weight | 182.307 g/mol |
| SMILES | C(CC(C(C(C)C)=C)CC(C)C)=O |