11,23-bis(Phenoxymethyl)-25,27-dihydroxy-26,28-dimethoxy-calix[4]arene

SpectraBase Compound ID	GSVvjF4T48W
InChI	InChI=1S/C44H40O6/c1-47-43-31-11-9-12-32(43)24-36-20-30(28-50-40-17-7-4-8-18-40)22-38(42(36)46)26-34-14-10-13-33(44(34)48-2)25-37-21-29(19-35(23-31)41(37)45)27-49-39-15-5-3-6-16-39/h3-22,45-46H,23-28H2,1-2H3
InChIKey	BXSLZMMNKXMBIZ-UHFFFAOYSA-N Google Search
Mol Weight	664.8 g/mol
Molecular Formula	C44H40O6
Exact Mass	664.282489 g/mol

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SpectraBase Spectrum ID	4KpTdwruiUx
Name	11,23-bis(Phenoxymethyl)-25,27-dihydroxy-26,28-dimethoxy-calix[4]arene
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	664.282489002 u
Formula	C44H40O6
InChI	InChI=1S/C44H40O6/c1-47-43-31-11-9-12-32(43)24-36-20-30(28-50-40-17-7-4-8-18-40)22-38(42(36)46)26-34-14-10-13-33(44(34)48-2)25-37-21-29(19-35(23-31)41(37)45)27-49-39-15-5-3-6-16-39/h3-22,45-46H,23-28H2,1-2H3
InChIKey	BXSLZMMNKXMBIZ-UHFFFAOYSA-N
Molecular Weight	664.798 g/mol
SMILES	C=12C(=C(CC=3C(=C(CC=4C(=C(CC5=C(C(C2)=CC=C5)OC)C=C(C4)COC2=CC=CC=C2)O)C=CC3)OC)C=C(C1)COC=1C=CC=CC1)O