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2,2'-Di(phenyl)bis[3-aza-2-bora-1-oxabicyclo[4.4.0]decano][5.5]paracyclophane
SpectraBase Compound ID aAf2E9Ejkv
InChI InChI=1S/C42H36B2N2O4/c1-3-13-37(14-4-1)43-45(31-35-11-7-9-17-41(35)49-43)39-23-19-34(20-24-39)28-30-48-44(38-15-5-2-6-16-38)46(32-36-12-8-10-18-42(36)50-44)40-25-21-33(22-26-40)27-29-47-43/h1-26,31-32H,27-30H2
InChIKey NRJZIGKKKOYVJY-UHFFFAOYSA-N
Mol Weight 654.4 g/mol
Molecular Formula C42H36B2N2O4
Exact Mass 654.286118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7r4kNuNdqbE
Name 2,2'-Di(phenyl)bis[3-aza-2-bora-1-oxabicyclo[4.4.0]decano][5.5]paracyclophane
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Formula C42H36B2N2O4
InChI InChI=1S/C42H36B2N2O4/c1-3-13-37(14-4-1)43-45(31-35-11-7-9-17-41(35)49-43)39-23-19-34(20-24-39)28-30-48-44(38-15-5-2-6-16-38)46(32-36-12-8-10-18-42(36)50-44)40-25-21-33(22-26-40)27-29-47-43/h1-26,31-32H,27-30H2
InChIKey NRJZIGKKKOYVJY-UHFFFAOYSA-N
Molecular Weight 654.380 g/mol
SMILES C1=[N]2[B](Oc3c1cccc3)(OCCc1ccc([N]=3[B](OCCc4ccc2cc4)(Oc2ccccc2C3)c2ccccc2)cc1)c1ccccc1
SPLASH splash10-004m-3595010000-b89fcefb5ac9f33688a0
Source of Spectrum QE-8-619-4
Synonyms 2,2'-Diphenylbis[3-aza-2-bora-1-oxabicyclo[4.4.0]decano][5.5]parracyclophane
Wiley ID 1557115