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(E)-1-[2',4'-Dinitro-phenyl]-2-[3'-hexyloxy-4'-(2''-hydroxy-ethoxy)-phenyl]-ethene
SpectraBase Compound ID J5ctQwBHplw
InChI InChI=1S/C22H26N2O7/c1-2-3-4-5-13-30-22-15-17(7-11-21(22)31-14-12-25)6-8-18-9-10-19(23(26)27)16-20(18)24(28)29/h6-11,15-16,25H,2-5,12-14H2,1H3/b8-6+
InChIKey YAMIVJRCBFWWQI-SOFGYWHQSA-N
Mol Weight 430.46 g/mol
Molecular Formula C22H26N2O7
Exact Mass 430.174001 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1SkTOBQpIcz
Name (E)-1-[2',4'-Dinitro-phenyl]-2-[3'-hexyloxy-4'-(2''-hydroxy-ethoxy)-phenyl]-ethene
Comments Computed using HOSE algorithm
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Exact Mass 430.174001178 u
Formula C22H26N2O7
InChI InChI=1S/C22H26N2O7/c1-2-3-4-5-13-30-22-15-17(7-11-21(22)31-14-12-25)6-8-18-9-10-19(23(26)27)16-20(18)24(28)29/h6-11,15-16,25H,2-5,12-14H2,1H3/b8-6+
InChIKey YAMIVJRCBFWWQI-SOFGYWHQSA-N
Molecular Weight 430.457 g/mol
SMILES C1(N(=O)=O)=CC(N(=O)=O)=CC=C1\C=C\C1=CC(=C(OCCO)C=C1)OCCCCCC