| SpectraBase Compound ID | 76fmDFRtEsG |
|---|---|
| InChI | InChI=1S/C15H20O2/c1-12(2)9-15(16)10-13(3)5-4-6-14-7-8-17-11-14/h7-11H,4-6H2,1-3H3/b13-10+ |
| InChIKey | KPYPPWAWICYALB-JLHYYAGUSA-N |
| Mol Weight | 232.32 g/mol |
| Molecular Formula | C15H20O2 |
| Exact Mass | 232.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6vFX80wIkEc |
|---|---|
| Name | 2,5-Nonadien-4-one, 9-(3-furanyl)-2,6-dimethyl-, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.146329882 u |
| Formula | C15H20O2 |
| InChI | InChI=1S/C15H20O2/c1-12(2)9-15(16)10-13(3)5-4-6-14-7-8-17-11-14/h7-11H,4-6H2,1-3H3/b13-10+ |
| InChIKey | KPYPPWAWICYALB-JLHYYAGUSA-N |
| Molecular Weight | 232.323 g/mol |
| SMILES | CC(C)=CC(=O)\C=C/(C)CCCC1=COC=C1 |