| SpectraBase Compound ID | DuIOO3fPolR |
|---|---|
| InChI | InChI=1S/C22H19Cl/c1-17-7-9-18(10-8-17)11-16-22(19-5-3-2-4-6-19)20-12-14-21(23)15-13-20/h2-16,22H,1H3/b16-11+ |
| InChIKey | LNCRJVDXPUSLFG-LFIBNONCSA-N |
| Mol Weight | 318.85 g/mol |
| Molecular Formula | C22H19Cl |
| Exact Mass | 318.117528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 20Yau0LzTCM |
|---|---|
| Name | (E)-1-Chloro-4-(1-phenyl-3-(p-tolyl)allyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.117528312 u |
| Formula | C22H19Cl |
| InChI | InChI=1S/C22H19Cl/c1-17-7-9-18(10-8-17)11-16-22(19-5-3-2-4-6-19)20-12-14-21(23)15-13-20/h2-16,22H,1H3/b16-11+ |
| InChIKey | LNCRJVDXPUSLFG-LFIBNONCSA-N |
| Molecular Weight | 318.847 g/mol |
| SMILES | C=1C=C(\C=C\C(C2=CC=CC=C2)C2=CC=C(C=C2)Cl)C=CC1C |