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N1,N4-bis[anilino-(2,4,6-trimethylphenyl)boranyl]benzene-1,4-diamine
SpectraBase Compound ID JbWRofYmNCK
InChI InChI=1S/C36H40B2N4/c1-25-21-27(3)35(28(4)22-25)37(39-31-13-9-7-10-14-31)41-33-17-19-34(20-18-33)42-38(40-32-15-11-8-12-16-32)36-29(5)23-26(2)24-30(36)6/h7-24,39-42H,1-6H3
InChIKey IJYXJZDOTREBTL-UHFFFAOYSA-N
Mol Weight 550.4 g/mol
Molecular Formula C36H40B2N4
Exact Mass 550.343908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42hJMcqWdbC
Name N1,N4-bis[anilino-(2,4,6-trimethylphenyl)boranyl]benzene-1,4-diamine
Appearance Colorless solid
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Formula C36H40B2N4
InChI InChI=1S/C36H40B2N4/c1-25-21-27(3)35(28(4)22-25)37(39-31-13-9-7-10-14-31)41-33-17-19-34(20-18-33)42-38(40-32-15-11-8-12-16-32)36-29(5)23-26(2)24-30(36)6/h7-24,39-42H,1-6H3
InChIKey IJYXJZDOTREBTL-UHFFFAOYSA-N
Instrument Name Finnigan MAT95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201602342
Molecular Weight 550.364 g/mol
Quality 285
SMILES N(C1=CC=CC=C1)B(NC=1C=CC(=CC1)NB(NC1=CC=CC=C1)C1=C(C)C=C(C)C=C1C)C1=C(C)C=C(C)C=C1C
SPLASH splash10-03k9-1589000000-9eab807ef37afb7412bb
Source of Spectrum ACI-55-SM30-8 (DOI: 10.1002/anie.201602342)
Wiley ID 1902791