![2-Cyclohexen-1-one, 3-[4-(3-furanyl)butyl]-](/api/spectrum/4Qno1lm3EkM/structure.png?h=300&w=458 "2-Cyclohexen-1-one, 3-[4-(3-furanyl)butyl]-")
| SpectraBase Compound ID | 7Yga5RKOlnC |
|---|---|
| InChI | InChI=1S/C14H18O2/c15-14-7-3-6-12(10-14)4-1-2-5-13-8-9-16-11-13/h8-11H,1-7H2 |
| InChIKey | IZTYTTBZBRYHPZ-UHFFFAOYSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C14H18O2 |
| Exact Mass | 218.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Qno1lm3EkM |
|---|---|
| Name | 2-Cyclohexen-1-one, 3-[4-(3-furanyl)butyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.130679818 u |
| Formula | C14H18O2 |
| InChI | InChI=1S/C14H18O2/c15-14-7-3-6-12(10-14)4-1-2-5-13-8-9-16-11-13/h8-11H,1-7H2 |
| InChIKey | IZTYTTBZBRYHPZ-UHFFFAOYSA-N |
| Molecular Weight | 218.296 g/mol |
| SMILES | C1=C(CCCC1=O)CCCCC1=COC=C1 |