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Benzene, 1-(3-phenoxyphenoxy)-3-[4-(3-phenoxyphenoxy)phenoxy]-
SpectraBase Compound ID 7f2qB8B3YcU
InChI InChI=1S/C36H26O5/c1-3-10-27(11-4-1)37-31-14-7-16-33(24-31)39-29-20-22-30(23-21-29)40-34-17-9-19-36(26-34)41-35-18-8-15-32(25-35)38-28-12-5-2-6-13-28/h1-26H
InChIKey WNOSYKQHCNOAKH-UHFFFAOYSA-N
Mol Weight 538.6 g/mol
Molecular Formula C36H26O5
Exact Mass 538.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EUkexRbfQM
Name Benzene, 1-(3-phenoxyphenoxy)-3-[4-(3-phenoxyphenoxy)phenoxy]-
Comments Computed using HOSE algorithm
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Exact Mass 538.178023932 u
Formula C36H26O5
InChI InChI=1S/C36H26O5/c1-3-10-27(11-4-1)37-31-14-7-16-33(24-31)39-29-20-22-30(23-21-29)40-34-17-9-19-36(26-34)41-35-18-8-15-32(25-35)38-28-12-5-2-6-13-28/h1-26H
InChIKey WNOSYKQHCNOAKH-UHFFFAOYSA-N
Molecular Weight 538.599 g/mol
SMILES C1(OC2=CC=CC(OC3=CC=C(OC4=CC=CC(OC5=CC=CC(OC6=CC=CC=C6)=C5)=C4)C=C3)=C2)=CC=CC=C1