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(2E)-3-(2,4-dichlorophenyl)-1-[4-(octyloxy)phenyl]-2-propen-1-one
SpectraBase Compound ID 4YX51QM38f7
InChI InChI=1S/C23H26Cl2O2/c1-2-3-4-5-6-7-16-27-21-13-9-19(10-14-21)23(26)15-11-18-8-12-20(24)17-22(18)25/h8-15,17H,2-7,16H2,1H3/b15-11+
InChIKey POXWMEIHPFTDJD-RVDMUPIBSA-N
Mol Weight 405.37 g/mol
Molecular Formula C23H26Cl2O2
Exact Mass 404.130985 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AlWvHO4giL7
Name (2E)-3-(2,4-Dichlorophenyl)-1-[4-(octyloxy)phenyl]-2-propen-1-one
Comments Computed using HOSE algorithm
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Exact Mass 404.130985475 u
Formula C23H26Cl2O2
InChI InChI=1S/C23H26Cl2O2/c1-2-3-4-5-6-7-16-27-21-13-9-19(10-14-21)23(26)15-11-18-8-12-20(24)17-22(18)25/h8-15,17H,2-7,16H2,1H3/b15-11+
InChIKey POXWMEIHPFTDJD-RVDMUPIBSA-N
Molecular Weight 405.365 g/mol
SMILES C=1(\C=C\C(C2=CC=C(C=C2)OCCCCCCCC)=O)C(=CC(=CC1)Cl)Cl