| SpectraBase Compound ID | 5NaJmAtBwqp |
|---|---|
| InChI | InChI=1S/C21H24O/c1-2-3-6-11-19(18-12-7-4-8-13-18)16-17-21(22)20-14-9-5-10-15-20/h4-5,7-10,12-17,19H,2-3,6,11H2,1H3/b17-16+/t19-/m0/s1 |
| InChIKey | RKDXTSIWWGGRLQ-PIOKWQJESA-N |
| Mol Weight | 292.42 g/mol |
| Molecular Formula | C21H24O |
| Exact Mass | 292.182715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fz4RZmmaL3t |
|---|---|
| Name | (+)-(4S,2E)- 1,4-diphenyl-non-2-en-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.182715392 u |
| Formula | C21H24O |
| InChI | InChI=1S/C21H24O/c1-2-3-6-11-19(18-12-7-4-8-13-18)16-17-21(22)20-14-9-5-10-15-20/h4-5,7-10,12-17,19H,2-3,6,11H2,1H3/b17-16+/t19-/m0/s1 |
| InChIKey | RKDXTSIWWGGRLQ-PIOKWQJESA-N |
| SMILES | C=1(C(=O)\C=C\[C@@](C2=CC=CC=C2)(CCCCC)[H])C=CC=CC1 |