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Tris-{(m)-2-[1-(2'-benzyloxy-4',6'-dimethylphenyl)]naphthylmethyl}amine
SpectraBase Compound ID 2KQZylEPEch
InChI InChI=1S/C78H69NO3/c1-52-40-55(4)73(70(43-52)80-49-58-22-10-7-11-23-58)76-64(37-34-61-28-16-19-31-67(61)76)46-79(47-65-38-35-62-29-17-20-32-68(62)77(65)74-56(5)41-53(2)44-71(74)81-50-59-24-12-8-13-25-59)48-66-39-36-63-30-18-21-33-69(63)78(66)75-57(6)42-54(3)45-72(75)82-51-60-26-14-9-15-27-60/h7-45H,46-51H2,1-6H3
InChIKey ZPBWISYLVVZJIB-UHFFFAOYSA-N
Mol Weight 1068.4 g/mol
Molecular Formula C78H69NO3
Exact Mass 1067.527745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID COou9dOkaMj
Name Tris-{(m)-2-[1-(2'-benzyloxy-4',6'-dimethylphenyl)]naphthylmethyl}amine
Comments Computed using HOSE algorithm
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Exact Mass 1067.527745083 u
Formula C78H69NO3
InChI InChI=1S/C78H69NO3/c1-52-40-55(4)73(70(43-52)80-49-58-22-10-7-11-23-58)76-64(37-34-61-28-16-19-31-67(61)76)46-79(47-65-38-35-62-29-17-20-32-68(62)77(65)74-56(5)41-53(2)44-71(74)81-50-59-24-12-8-13-25-59)48-66-39-36-63-30-18-21-33-69(63)78(66)75-57(6)42-54(3)45-72(75)82-51-60-26-14-9-15-27-60/h7-45H,46-51H2,1-6H3
InChIKey ZPBWISYLVVZJIB-UHFFFAOYSA-N
Molecular Weight 1068.414 g/mol
SMILES C1(C2=C(OCC3=CC=CC=C3)C=C(C=C2C)C)=C(CN(CC2=C(C3=C(OCC4=CC=CC=C4)C=C(C=C3C)C)C3=CC=CC=C3C=C2)CC2=C(C3=C(OCC4=CC=CC=C4)C=C(C=C3C)C)C3=CC=CC=C3C=C2)C=CC=2C1=CC=CC2