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11,23-dichloro-5,17-octano-25,26,27,28-tetrahydroxycalix[4]arene
SpectraBase Compound ID AQw71TLO3VN
InChI InChI=1S/C36H36Cl2O4/c37-31-17-27-13-23-9-21-7-5-3-1-2-4-6-8-22-11-25(15-29(19-31)35(27)41)34(40)26(12-22)16-30-20-32(38)18-28(36(30)42)14-24(10-21)33(23)39/h9-12,17-20,39-42H,1-8,13-16H2
InChIKey LPEOERLJYSANBN-UHFFFAOYSA-N
Mol Weight 603.6 g/mol
Molecular Formula C36H36Cl2O4
Exact Mass 602.199065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kqax7AjWbs4
Name 11,23-dichloro-5,17-octano-25,26,27,28-tetrahydroxycalix[4]arene
Alternate Name(s) 20,29-dichlorohexacyclo[12.11.7.1(3,24).1(12,16).1(18,22).1(27,31)]hexatriaconta-1,3(34),12(36),13,15,18(35),19,21,24,27(33),28,30-dodecaene-15,25,33,35-tetrol
CAS Registry Number 115914-62-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H36Cl2O4
InChI InChI=1S/C36H36Cl2O4/c37-31-17-27-13-23-9-21-7-5-3-1-2-4-6-8-22-11-25(15-29(19-31)35(27)41)34(40)26(12-22)16-30-20-32(38)18-28(36(30)42)14-24(10-21)33(23)39/h9-12,17-20,39-42H,1-8,13-16H2
InChIKey LPEOERLJYSANBN-UHFFFAOYSA-N
Molecular Weight 603.586 g/mol
SMILES Oc1c2Cc3c(c4Cc5c(c(Cc6c(c(Cc1cc(c2)Cl)cc(c6)CCCCCCCCc(c4)c3)O)cc(c5)Cl)O)O
SPLASH splash10-0udi-0000009000-beaa3df23c930638a94a
Source of Spectrum C-110-6817-35
Wiley ID 1410329