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2,2'-Bis(3-nitrophenyl)bis[3-aza-2-bora-1-oxabicyclo[4.4.0]decano][5.5]paracyclophane

View entire compound with spectra: 1 MS (GC)

2,2'-Bis(3-nitrophenyl)bis[3-aza-2-bora-1-oxabicyclo[4.4.0]decano][5.5]paracyclophane
SpectraBase Compound ID AwuibppU13o
InChI InChI=1S/C42H34B2N4O8/c49-47(50)39-11-5-9-35(27-39)43-45(29-33-7-1-3-13-41(33)55-43)37-19-15-31(16-20-37)24-26-54-44(36-10-6-12-40(28-36)48(51)52)46(30-34-8-2-4-14-42(34)56-44)38-21-17-32(18-22-38)23-25-53-43/h1-22,27-30H,23-26H2
InChIKey CDYWZQLLRZNTEC-UHFFFAOYSA-N
Mol Weight 744.4 g/mol
Molecular Formula C42H34B2N4O8
Exact Mass 744.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID NUR8NVxL71
Name 2,2'-Bis(3-nitrophenyl)bis[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 C42H34B2N4O8
InChI InChI=1S/C42H34B2N4O8/c49-47(50)39-11-5-9-35(27-39)43-45(29-33-7-1-3-13-41(33)55-43)37-19-15-31(16-20-37)24-26-54-44(36-10-6-12-40(28-36)48(51)52)46(30-34-8-2-4-14-42(34)56-44)38-21-17-32(18-22-38)23-25-53-43/h1-22,27-30H,23-26H2
InChIKey CDYWZQLLRZNTEC-UHFFFAOYSA-N
Molecular Weight 744.374 g/mol
SMILES C1=[N]2[B](Oc3c1cccc3)(OCCc1ccc([N]=3[B](OCCc4ccc2cc4)(Oc2c(C3)cccc2)c2cc(N(=O)=O)ccc2)cc1)c1cc(N(=O)=O)ccc1
SPLASH splash10-01ox-3296002000-1acb7c452930d3ce686c
Source of Spectrum QE-8-620-4
Wiley ID 1557107