CONE-5,11,17,23-TETRAETHYNYL-25,26,27,28-TETRA-N-PROPOXYCALIX-[4]-ARENE

SpectraBase Compound ID	5skFGBQNhU0
InChI	InChI=1S/C48H48O4/c1-9-17-49-45-37-21-33(13-5)22-38(45)30-40-24-35(15-7)26-42(47(40)51-19-11-3)32-44-28-36(16-8)27-43(48(44)52-20-12-4)31-41-25-34(14-6)23-39(29-37)46(41)50-18-10-2/h5-8,21-28H,9-12,17-20,29-32H2,1-4H3
InChIKey	UDIGLZHVDJWRLV-UHFFFAOYSA-N Google Search
Mol Weight	688.9 g/mol
Molecular Formula	C48H48O4
Exact Mass	688.35526 g/mol

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SpectraBase Spectrum ID	E03MldNnp3j
Name	5,11,17,23-Tetraethynyl-25,26,27,28-tetra-(n-propoxy)calix[4]arene
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C48H48O4
InChI	InChI=1S/C48H48O4/c1-9-17-49-45-37-21-33(13-5)22-38(45)30-40-24-35(15-7)26-42(47(40)51-19-11-3)32-44-28-36(16-8)27-43(48(44)52-20-12-4)31-41-25-34(14-6)23-39(29-37)46(41)50-18-10-2/h5-8,21-28H,9-12,17-20,29-32H2,1-4H3
InChIKey	UDIGLZHVDJWRLV-UHFFFAOYSA-N
Molecular Weight	688.908 g/mol
SMILES	c12c(c(Cc3c(c(Cc4c(c(Cc5c(c(C2)cc(C#C)c5)OCCC)cc(C#C)c4)OCCC)cc(C#C)c3)OCCC)cc(C#C)c1)OCCC
SPLASH	splash10-000i-1000009000-873abd357ccd56c10de9
Source of Spectrum	H-2005-3808-5
Wiley ID	1563152