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(E)-1-[3,5-Bis(hexyloxy)-4-hydroxyphenyl]-2-(3,5-dihydroxyphenyl)ethene
SpectraBase Compound ID Di0AQ5Q59qD
InChI InChI=1S/C26H36O5/c1-3-5-7-9-13-30-24-17-21(12-11-20-15-22(27)19-23(28)16-20)18-25(26(24)29)31-14-10-8-6-4-2/h11-12,15-19,27-29H,3-10,13-14H2,1-2H3/b12-11+
InChIKey ITHACOVFXGXFML-VAWYXSNFSA-N
Mol Weight 428.6 g/mol
Molecular Formula C26H36O5
Exact Mass 428.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DBykNd3jFSD
Name (E)-1-[3,5-bis(Hexyloxy)-4-hydroxyphenyl]-2-(3,5-dihydroxyphenyl)ethene
Comments Computed using HOSE algorithm
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Exact Mass 428.256274254 u
Formula C26H36O5
InChI InChI=1S/C26H36O5/c1-3-5-7-9-13-30-24-17-21(12-11-20-15-22(27)19-23(28)16-20)18-25(26(24)29)31-14-10-8-6-4-2/h11-12,15-19,27-29H,3-10,13-14H2,1-2H3/b12-11+
InChIKey ITHACOVFXGXFML-VAWYXSNFSA-N
Molecular Weight 428.569 g/mol
SMILES C=1(C(=CC(\C=C\C=2C=C(O)C=C(C2)O)=CC1OCCCCCC)OCCCCCC)O