| SpectraBase Compound ID | 2dumtC48ls |
|---|---|
| InChI | InChI=1S/C18H18O/c19-18(15-14-17-10-5-2-6-11-17)13-7-12-16-8-3-1-4-9-16/h1-12H,13-15H2/b12-7+ |
| InChIKey | XPZRLUHFPWOUNB-KPKJPENVSA-N |
| Mol Weight | 250.34 g/mol |
| Molecular Formula | C18H18O |
| Exact Mass | 250.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5swaIUmjkZp |
|---|---|
| Name | 1,6-Diphenyl-4-oxohex-1-ene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.135765199 u |
| Formula | C18H18O |
| InChI | InChI=1S/C18H18O/c19-18(15-14-17-10-5-2-6-11-17)13-7-12-16-8-3-1-4-9-16/h1-12H,13-15H2/b12-7+ |
| InChIKey | XPZRLUHFPWOUNB-KPKJPENVSA-N |
| Molecular Weight | 250.341 g/mol |
| SMILES | C=1(\C=C\CC(=O)CCC2=CC=CC=C2)C=CC=CC1 |