26-Ethoxy-28-hydroxy-5-iodocalix[4]arenecrown-4

SpectraBase Compound ID	85Hdy1e9pAT
InChI	InChI=1S/C36H37IO6/c1-2-41-34-24-6-3-7-25(34)19-27-9-5-11-29-21-31-23-32(37)22-30(33(31)38)20-28-10-4-8-26(18-24)35(28)42-16-14-39-12-13-40-15-17-43-36(27)29/h3-11,22-23,38H,2,12-21H2,1H3
InChIKey	WHIKHKJCHAWKLB-UHFFFAOYSA-N Google Search
Mol Weight	692.6 g/mol
Molecular Formula	C36H37IO6
Exact Mass	692.163484 g/mol

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SpectraBase Spectrum ID	AvxIdJrvohE
Name	26-Ethoxy-28-hydroxy-5-iodocalix[4]arenecrown-4
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C36H37IO6
InChI	InChI=1S/C36H37IO6/c1-2-41-34-24-6-3-7-25(34)19-27-9-5-11-29-21-31-23-32(37)22-30(33(31)38)20-28-10-4-8-26(18-24)35(28)42-16-14-39-12-13-40-15-17-43-36(27)29/h3-11,22-23,38H,2,12-21H2,1H3
InChIKey	WHIKHKJCHAWKLB-UHFFFAOYSA-N
Molecular Weight	692.590 g/mol
SMILES	Oc1c2Cc3c4c(Cc5c(c(Cc6c(c(Cc1cc(c2)I)ccc6)OCCOCCOCCO4)ccc5)OCC)ccc3
SPLASH	splash10-0006-0000019000-81514e779695c0390e3c
Source of Spectrum	SK-28-3939-6
Wiley ID	880105