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5,11,17,23-tetrakis(t-Butyl)-25,26,27,28-tetrakis(methoxy)-calix[4]arene
SpectraBase Compound ID 7GhrIktoe2T
InChI InChI=1S/C48H64O4/c1-45(2,3)37-21-29-17-31-23-38(46(4,5)6)25-33(42(31)50-14)19-35-27-40(48(10,11)12)28-36(44(35)52-16)20-34-26-39(47(7,8)9)24-32(43(34)51-15)18-30(22-37)41(29)49-13/h21-28H,17-20H2,1-16H3
InChIKey NAHXOFOKQUTZEB-UHFFFAOYSA-N
Mol Weight 705.0 g/mol
Molecular Formula C48H64O4
Exact Mass 704.480461 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Q64Us362tT
Name 5,11,17,23-tetrakis(t-Butyl)-25,26,27,28-tetrakis(methoxy)-calix[4]arene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H64O4
InChI InChI=1S/C48H64O4/c1-45(2,3)37-21-29-17-31-23-38(46(4,5)6)25-33(42(31)50-14)19-35-27-40(48(10,11)12)28-36(44(35)52-16)20-34-26-39(47(7,8)9)24-32(43(34)51-15)18-30(22-37)41(29)49-13/h21-28H,17-20H2,1-16H3
InChIKey NAHXOFOKQUTZEB-UHFFFAOYSA-N
Molecular Weight 705.036 g/mol
SMILES c12c(c(Cc3c(c(Cc4c(c(Cc5c(c(C2)cc(c5)C(C)(C)C)OC)cc(c4)C(C)(C)C)OC)cc(c3)C(C)(C)C)OC)cc(c1)C(C)(C)C)OC
SPLASH splash10-0zi0-0202000900-e4e0d18be249733c3735
Source of Spectrum MN-1998-112-2
Synonyms 5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxypentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene
Wiley ID 1546383