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syn-proximal-5,11,17,23-Tetra-tert-butyl-25,26-bis[(2-pyridylmethyl)oxy]-27,28-dihydroxycalix[4]arene
SpectraBase Compound ID 6jcNqH4ma8u
InChI InChI=1S/C56H66N2O4/c1-53(2,3)43-25-35-21-36-26-44(54(4,5)6)28-38(50(36)60)23-40-30-46(56(10,11)12)32-42(52(40)62-34-48-18-14-16-20-58-48)24-41-31-45(55(7,8)9)29-39(22-37(27-43)49(35)59)51(41)61-33-47-17-13-15-19-57-47/h13-20,25-32,59-60H,21-24,33-34H2,1-12H3
InChIKey CEYBNVAADIPPNK-UHFFFAOYSA-N
Mol Weight 831.2 g/mol
Molecular Formula C56H66N2O4
Exact Mass 830.502259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6k7urCyR0qv
Name syn-proximal-5,11,17,23-Tetra-tert-butyl-25,26-bis[(2-pyridylmethyl)oxy]-27,28-dihydroxycalix[4]arene
Alternate Name(s) syn-distal-5,11,17,23-Tetra-tert-butyl-25,27-bis[(2-pyridylmethyl)oxy]-26,28-dihydroxycalix[4]arene 5,11,17,23-tetra-tert-butyl-27,28-bis(pyridin-2-ylmethoxy)pentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(24),3,5,7(28),9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,26-diol
CAS Registry Number 123207-95-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C56H66N2O4
InChI InChI=1S/C56H66N2O4/c1-53(2,3)43-25-35-21-36-26-44(54(4,5)6)28-38(50(36)60)23-40-30-46(56(10,11)12)32-42(52(40)62-34-48-18-14-16-20-58-48)24-41-31-45(55(7,8)9)29-39(22-37(27-43)49(35)59)51(41)61-33-47-17-13-15-19-57-47/h13-20,25-32,59-60H,21-24,33-34H2,1-12H3
InChIKey CEYBNVAADIPPNK-UHFFFAOYSA-N
Molecular Weight 831.154 g/mol
SMILES Oc1c2Cc3c(c(Cc4c(c(Cc5c(c(Cc1cc(c2)C(C)(C)C)cc(c5)C(C)(C)C)OCc1ncccc1)cc(c4)C(C)(C)C)OCc1ncccc1)cc(c3)C(C)(C)C)O
SPLASH splash10-0019-0000003950-b8724e6547cc3edfe28c
Source of Spectrum J-57-2621-1
Wiley ID 1417536