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Calix(4)arene

View entire compound with spectra: 3 NMR, 2 FTIR, 1 Raman, and 1 MS (GC)

Calix(4)arene
SpectraBase Compound ID 8i2AJZGKzTI
InChI InChI=1S/C28H24O4/c29-25-17-5-1-6-18(25)14-20-8-3-10-22(27(20)31)16-24-12-4-11-23(28(24)32)15-21-9-2-7-19(13-17)26(21)30/h1-12,29-32H,13-16H2
InChIKey YPNHVQZZPXPQOS-UHFFFAOYSA-N
Mol Weight 424.5 g/mol
Molecular Formula C28H24O4
Exact Mass 424.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8anZKzCesN
Name 25,26,27,28-Tetrahydroxycalix[4]aren
Alternate Name(s) 25,26,27,28,-tetrahydroxycalix-[4]-arene
CAS Registry Number 74568-07-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H24O4
InChI InChI=1S/C28H24O4/c29-25-17-5-1-6-18(25)14-20-8-3-10-22(27(20)31)16-24-12-4-11-23(28(24)32)15-21-9-2-7-19(13-17)26(21)30/h1-12,29-32H,13-16H2
InChIKey YPNHVQZZPXPQOS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.19990170615
Molecular Weight 424.496 g/mol
SMILES Oc1c2cccc1Cc1cccc(Cc3cccc(Cc4cccc(c4O)C2)c3O)c1O
SPLASH splash10-00xr-1422900000-06b3dc7d70a8bc88bbf8
Source of Spectrum CJC-17-676-2
Wiley ID 1773457