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cyclophane [2,2'-(tetramethyl)-3,3'-diphenyl-6,6'-(1,4-phendiylmethyldioxy)bisbenzofuran]
SpectraBase Compound ID 4XgBckGmdAH
InChI InChI=1S/C40H32O4/c1-3-9-29(10-4-1)39-33-21-19-31-23-37(33)43-35(39)13-7-8-14-36-40(30-11-5-2-6-12-30)34-22-20-32(24-38(34)44-36)42-26-28-17-15-27(16-18-28)25-41-31/h1-6,9-12,15-24H,7-8,13-14,25-26H2
InChIKey BWNINEWWFPUBKY-UHFFFAOYSA-N
Mol Weight 576.7 g/mol
Molecular Formula C40H32O4
Exact Mass 576.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89vMoZza9SD
Name cyclophane [2,2'-(tetramethyl)-3,3'-diphenyl-6,6'-(1,4-phendiylmethyldioxy)bisbenzofuran]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H32O4
InChI InChI=1S/C40H32O4/c1-3-9-29(10-4-1)39-33-21-19-31-23-37(33)43-35(39)13-7-8-14-36-40(30-11-5-2-6-12-30)34-22-20-32(24-38(34)44-36)42-26-28-17-15-27(16-18-28)25-41-31/h1-6,9-12,15-24H,7-8,13-14,25-26H2
InChIKey BWNINEWWFPUBKY-UHFFFAOYSA-N
Molecular Weight 576.692 g/mol
SMILES c12c(c3ccc(OCc4ccc(cc4)COc4cc5oc(CCCC1)c(c5cc4)-c1ccccc1)cc3o2)-c1ccccc1
SPLASH splash10-004i-0100190000-b4606f52532678eb399e
Source of Spectrum AT-41-1396-5
Wiley ID 854717