| SpectraBase Compound ID | 5dhFEWZWX3h |
|---|---|
| InChI | InChI=1S/C20H22O/c1-17(9-8-14-18-10-4-2-5-11-18)20(21)16-15-19-12-6-3-7-13-19/h2-7,9-13H,8,14-16H2,1H3/b17-9+ |
| InChIKey | IDSRKVXRPXROKI-RQZCQDPDSA-N |
| Mol Weight | 278.39 g/mol |
| Molecular Formula | C20H22O |
| Exact Mass | 278.167065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Ft3axbT7CB |
|---|---|
| Name | (E)-4-Methyl-1,7-diphenylhept-4-en-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.167065327 u |
| Formula | C20H22O |
| InChI | InChI=1S/C20H22O/c1-17(9-8-14-18-10-4-2-5-11-18)20(21)16-15-19-12-6-3-7-13-19/h2-7,9-13H,8,14-16H2,1H3/b17-9+ |
| InChIKey | IDSRKVXRPXROKI-RQZCQDPDSA-N |
| SMILES | C=1C=C(CCC(=O)\C(C)=C\CCC2=CC=CC=C2)C=CC1 |