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5-Chloro-7-(4-methoxy-phenyl)-2,5-dimethyl-7-phenyl-1-heptene
SpectraBase Compound ID IyfdFFXXL6j
InChI InChI=1S/C22H27ClO/c1-17(2)14-15-22(3,23)16-21(18-8-6-5-7-9-18)19-10-12-20(24-4)13-11-19/h5-13,21H,1,14-16H2,2-4H3
InChIKey JKCKKKICZOIFJH-UHFFFAOYSA-N
Mol Weight 342.91 g/mol
Molecular Formula C22H27ClO
Exact Mass 342.175043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5hpHpC75DFM
Name 5-Chloro-7-(4-methoxy-phenyl)-2,5-dimethyl-7-phenyl-1-heptene
Comments MIXTURE OF DIASTEREOMERS, ADDITIONAL SIGNALS AT 42.87(C3), 30.49/30.54(C21) PPM:OCH3 AND PHENYL SIGNALS AT 55 AND 113-158 PPM RESPECTIVELY
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Formula C22H27ClO
InChI InChI=1S/C22H27ClO/c1-17(2)14-15-22(3,23)16-21(18-8-6-5-7-9-18)19-10-12-20(24-4)13-11-19/h5-13,21H,1,14-16H2,2-4H3
InChIKey JKCKKKICZOIFJH-UHFFFAOYSA-N
Instrument Name Varian XL-200
Literature Reference B. Irrgang, H. Mayr, Tetrahedron 47, 219 (1991).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3