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

SpectraBase Compound ID	HxfmqrgAq5w
InChI	InChI=1S/C40H44O4/c1-5-21-41-37-29-13-9-14-30(37)26-32-16-11-18-34(39(32)43-23-7-3)28-36-20-12-19-35(40(36)44-24-8-4)27-33-17-10-15-31(25-29)38(33)42-22-6-2/h5,8-20H,1,4,6-7,21-28H2,2-3H3
InChIKey	BSRNOAMJGOJEKD-UHFFFAOYSA-N Google Search
Mol Weight	588.8 g/mol
Molecular Formula	C40H44O4
Exact Mass	588.32396 g/mol

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SpectraBase Spectrum ID	FeYzkC4AAzx
Name	25,27-Dipropoxy-26,28- diallyloxycalix-[4]-arene
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C40H44O4
InChI	InChI=1S/C40H44O4/c1-5-21-41-37-29-13-9-14-30(37)26-32-16-11-18-34(39(32)43-23-7-3)28-36-20-12-19-35(40(36)44-24-8-4)27-33-17-10-15-31(25-29)38(33)42-22-6-2/h5,8-20H,1,4,6-7,21-28H2,2-3H3
InChIKey	BSRNOAMJGOJEKD-UHFFFAOYSA-N
Literature Reference DOI	10.1002/cjoc.19990170615
Molecular Weight	588.788 g/mol
SMILES	c1c2Cc3cccc(Cc4cccc(Cc5cccc(c5OCC=C)Cc(c2OCCC)cc1)c4OCCC)c3OCC=C
SPLASH	splash10-0006-9000000000-7e75d395e40f6f19d094
Source of Spectrum	CJC-17-679-5c
Wiley ID	1773462