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[(p-tert-Butyltetraoxygencalix[4]arene){p-tert-butylcalix[2]arene(dihydroxy)}tungsten] complex
SpectraBase Compound ID GFWEhY5t7sb
InChI InChI=1S/2C44H56O4.W/c2*1-41(2,3)33-17-27-13-25-23-36(45)24-26(37(25)44(10,11)12)14-28-18-34(42(4,5)6)20-30(39(28)47)16-32-22-35(43(7,8)9)21-31(40(32)48)15-29(19-33)38(27)46;/h2*17-24,45-48H,13-16H2,1-12H3;/q;;+6/p-6
InChIKey XOIHBCIOSJTZIF-UHFFFAOYSA-H
Mol Weight 1475.6 g/mol
Molecular Formula C88H106O8W
Exact Mass 1474.739703 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3wbw5Wn7JVV
Name [(p-tert-Butyltetraoxygencalix[4]arene){p-tert-butylcalix[2]arene(dihydroxy)}tungsten] complex
Comments Less than 3 mono-isotopic peaks
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Formula C88H106O8W
InChI InChI=1S/2C44H56O4.W/c2*1-41(2,3)33-17-27-13-25-23-36(45)24-26(37(25)44(10,11)12)14-28-18-34(42(4,5)6)20-30(39(28)47)16-32-22-35(43(7,8)9)21-31(40(32)48)15-29(19-33)38(27)46;/h2*17-24,45-48H,13-16H2,1-12H3;/q;;+6/p-6
InChIKey XOIHBCIOSJTZIF-UHFFFAOYSA-H
Molecular Weight 1475.649 g/mol
SMILES Oc1c2Cc3c4O[W]567(Oc8c(Cc9c(c(cc(c9)O)Cc1cc(c2)C(C)(C)C)C(C)(C)C)cc(cc8Cc4cc(c3)C(C)(C)C)C(C)(C)C)Oc1c2Cc3cc(O5)cc(c3C(C)(C)C)Cc3c(O7)c(Cc4c(O6)c(Cc1cc(C(C)(C)C)c2)cc(c4)C(C)(C)C)cc(c3)C(C)(C)C
SPLASH splash10-004i-0000900000-4a775cc50f3c886fc671
Source of Spectrum QE-7-789-1
Wiley ID 845404