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2,2'-Di(phenyl)bis[7,7',9,9'-tert-butyl-3-aza-2-bora-1-oxabicyclo[4.4.0]decano][5.5]paracyclophane

View entire compound with spectra: 2 MS (GC)

2,2'-Di(phenyl)bis[7,7',9,9'-tert-butyl-3-aza-2-bora-1-oxabicyclo[4.4.0]decano][5.5]paracyclophane
SpectraBase Compound ID FJwBjgCvAHl
InChI InChI=1S/C58H68B2N2O4/c1-55(2,3)45-35-43-39-61-49-27-23-41(24-28-49)32-34-64-60(48-21-17-14-18-22-48)62(40-44-36-46(56(4,5)6)38-52(54(44)66-60)58(10,11)12)50-29-25-42(26-30-50)31-33-63-59(61,47-19-15-13-16-20-47)65-53(43)51(37-45)57(7,8)9/h13-30,35-40H,31-34H2,1-12H3
InChIKey SVCCRZSJEUAEJB-UHFFFAOYSA-N
Mol Weight 878.8 g/mol
Molecular Formula C58H68B2N2O4
Exact Mass 878.536519 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A4rTwjVChMy
Name 2,2'-Di(phenyl)bis[7,7',9,9'-tert-butyl-3-aza-2-bora-1-oxabicyclo[4.4.0]decano][5.5]paracyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C58H68B2N2O4
InChI InChI=1S/C58H68B2N2O4/c1-55(2,3)45-35-43-39-61-49-27-23-41(24-28-49)32-34-64-60(48-21-17-14-18-22-48)62(40-44-36-46(56(4,5)6)38-52(54(44)66-60)58(10,11)12)50-29-25-42(26-30-50)31-33-63-59(61,47-19-15-13-16-20-47)65-53(43)51(37-45)57(7,8)9/h13-30,35-40H,31-34H2,1-12H3
InChIKey SVCCRZSJEUAEJB-UHFFFAOYSA-N
Molecular Weight 878.812 g/mol
SMILES C1=[N]2[B](Oc3c1cc(cc3C(C)(C)C)C(C)(C)C)(OCCc1ccc([N]=3[B](OCCc4ccc2cc4)(Oc2c(C3)cc(cc2C(C)(C)C)C(C)(C)C)c2ccccc2)cc1)c1ccccc1
SPLASH splash10-03fr-3906300000-8a0b0995be713f05a3be
Source of Spectrum QE-8-619-4
Synonyms 2,2'-(Diphenyl)bis[7,7',9,9'-tert-butyl-3-aza-2-bora-1-oxabicyclo[4.4.0]decano][5.5]paracyclophane
Wiley ID 1557114