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25,26,27,28-Tetrakis[(2-pyridylmethyl)oxy]calix[4]arene,1,3-Alternate and partial cone conformer
SpectraBase Compound ID 66yy07LXrQw
InChI InChI=1S/C52H44N4O4/c1-5-25-53-45(21-1)33-57-49-37-13-9-14-38(49)30-40-16-11-18-42(51(40)59-35-47-23-3-7-27-55-47)32-44-20-12-19-43(52(44)60-36-48-24-4-8-28-56-48)31-41-17-10-15-39(29-37)50(41)58-34-46-22-2-6-26-54-46/h1-28H,29-36H2
InChIKey YINGXRDSMFLJAN-UHFFFAOYSA-N
Mol Weight 788.9 g/mol
Molecular Formula C52H44N4O4
Exact Mass 788.336256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JmhXZnZG3TC
Name 25,26,27,28-Tetrakis[(2-pyridylmethyl)oxy]calix[4]arene,1,3-Alternate and partial cone conformer
CAS Registry Number 139683-33-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C52H44N4O4
InChI InChI=1S/C52H44N4O4/c1-5-25-53-45(21-1)33-57-49-37-13-9-14-38(49)30-40-16-11-18-42(51(40)59-35-47-23-3-7-27-55-47)32-44-20-12-19-43(52(44)60-36-48-24-4-8-28-56-48)31-41-17-10-15-39(29-37)50(41)58-34-46-22-2-6-26-54-46/h1-28H,29-36H2
InChIKey YINGXRDSMFLJAN-UHFFFAOYSA-N
Molecular Weight 788.948 g/mol
SMILES c1(c2Cc3c(c(Cc4cccc(c4OCc4ncccc4)Cc4c(c(Cc1ccc2)ccc4)OCc1ncccc1)ccc3)OCc1ncccc1)OCc1ncccc1
SPLASH splash10-000b-0000039500-96535fb91ad6f85ace4a
Source of Spectrum J-57-2620-3
Synonyms 25,26,27,28-Tetrakis[(2-pyridylmethyl)oxy]calix[4]arene,cone conformer 2-({[26,27,28-tris(2-pyridinylmethoxy)pentacyclo[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-dodecaen-25-yl]oxy}methyl)pyridine
Wiley ID 1417005