| SpectraBase Compound ID | 9VoLnyoieDz |
|---|---|
| InChI | InChI=1S/C14H22O2/c1-10-9-12(3)16-13(10)14(4,5)8-6-7-11(2)15/h9H,6-8H2,1-5H3 |
| InChIKey | GAEUMLKQZGQFJB-UHFFFAOYSA-N |
| Mol Weight | 222.33 g/mol |
| Molecular Formula | C14H22O2 |
| Exact Mass | 222.16198 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 | Afa7zSEle54 |
|---|---|
| Name | 2-Heptanone, 6-(3,5-dimethyl-2-furanyl)-6-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.161979946 u |
| Formula | C14H22O2 |
| InChI | InChI=1S/C14H22O2/c1-10-9-12(3)16-13(10)14(4,5)8-6-7-11(2)15/h9H,6-8H2,1-5H3 |
| InChIKey | GAEUMLKQZGQFJB-UHFFFAOYSA-N |
| Molecular Weight | 222.328 g/mol |
| SMILES | CC(C1=C(C=C(C)O1)C)(C)CCCC(=O)C |