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5,11,17,23-Tetraethyl-25,26,27,28-tetrahydroxy-calix(4)arene
SpectraBase Compound ID HVRVwFo2Gg1
InChI InChI=1S/C36H40O4/c1-5-21-9-25-17-27-11-22(6-2)13-29(34(27)38)19-31-15-24(8-4)16-32(36(31)40)20-30-14-23(7-3)12-28(35(30)39)18-26(10-21)33(25)37/h9-16,37-40H,5-8,17-20H2,1-4H3
InChIKey BRFOOOZNAVSVQJ-UHFFFAOYSA-N
Mol Weight 536.7 g/mol
Molecular Formula C36H40O4
Exact Mass 536.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GfMNnpMP1xH
Name 5,11,17,23-Tetraethyl-25,26,27,28-tetrahydroxycalix[4]arene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H40O4
InChI InChI=1S/C36H40O4/c1-5-21-9-25-17-27-11-22(6-2)13-29(34(27)38)19-31-15-24(8-4)16-32(36(31)40)20-30-14-23(7-3)12-28(35(30)39)18-26(10-21)33(25)37/h9-16,37-40H,5-8,17-20H2,1-4H3
InChIKey BRFOOOZNAVSVQJ-UHFFFAOYSA-N
Molecular Weight 536.712 g/mol
SMILES Oc1c2Cc3c(c(Cc4c(c(Cc5c(c(Cc1cc(c2)CC)cc(c5)CC)O)cc(c4)CC)O)cc(c3)CC)O
SPLASH splash10-00ks-0720090000-cf7a5348151aec4f01b0
Source of Spectrum F-48-910-4
Synonyms 5,11,17,23-tetraethylpentacyclo[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-25,26,27,28-tetrol
Wiley ID 1404144