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25,27-Diethoxy-26,28- diallyloxycalix-[4]-arene

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25,27-Diethoxy-26,28- diallyloxycalix-[4]-arene
SpectraBase Compound ID 8Sc9kYjfzrG
InChI InChI=1S/C38H40O4/c1-5-21-41-37-31-17-11-18-32(37)24-28-14-10-16-30(36(28)40-8-4)26-34-20-12-19-33(38(34)42-22-6-2)25-29-15-9-13-27(23-31)35(29)39-7-3/h5-6,9-20H,1-2,7-8,21-26H2,3-4H3
InChIKey HMVAWRUOPVQTSE-UHFFFAOYSA-N
Mol Weight 560.7 g/mol
Molecular Formula C38H40O4
Exact Mass 560.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CLxjW93SjZ2
Name 25,27-Diethoxy-26,28- diallyloxycalix-[4]-arene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 560.292659764 u
Formula C38H40O4
InChI InChI=1S/C38H40O4/c1-5-21-41-37-31-17-11-18-32(37)24-28-14-10-16-30(36(28)40-8-4)26-34-20-12-19-33(38(34)42-22-6-2)25-29-15-9-13-27(23-31)35(29)39-7-3/h5-6,9-20H,1-2,7-8,21-26H2,3-4H3
InChIKey HMVAWRUOPVQTSE-UHFFFAOYSA-N
Molecular Weight 560.734 g/mol
SMILES C1=C2CC3=CC=CC(CC4=CC=CC(CC5=CC=CC(CC(=C2OCC)C=C1)=C5OCC=C)=C4OCC)=C3OCC=C