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Tris-{(m)-2-[1-(2'-hydroxy-4',6'-dimethylphenyl)]naphthylmethyl}amine
SpectraBase Compound ID E5EpSXLbdcV
InChI InChI=1S/C57H51NO3/c1-34-25-37(4)52(49(59)28-34)55-43(22-19-40-13-7-10-16-46(40)55)31-58(32-44-23-20-41-14-8-11-17-47(41)56(44)53-38(5)26-35(2)29-50(53)60)33-45-24-21-42-15-9-12-18-48(42)57(45)54-39(6)27-36(3)30-51(54)61/h7-30,59-61H,31-33H2,1-6H3
InChIKey YQESZCPNIDYXJV-UHFFFAOYSA-N
Mol Weight 798.0 g/mol
Molecular Formula C57H51NO3
Exact Mass 797.386895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FztbiADW9di
Name Tris-{(m)-2-[1-(2'-hydroxy-4',6'-dimethylphenyl)]naphthylmethyl}amine
Comments Computed using HOSE algorithm
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Exact Mass 797.386894503 u
Formula C57H51NO3
InChI InChI=1S/C57H51NO3/c1-34-25-37(4)52(49(59)28-34)55-43(22-19-40-13-7-10-16-46(40)55)31-58(32-44-23-20-41-14-8-11-17-47(41)56(44)53-38(5)26-35(2)29-50(53)60)33-45-24-21-42-15-9-12-18-48(42)57(45)54-39(6)27-36(3)30-51(54)61/h7-30,59-61H,31-33H2,1-6H3
InChIKey YQESZCPNIDYXJV-UHFFFAOYSA-N
Molecular Weight 798.039 g/mol
SMILES C1(C=2C(=CC(=CC2C)C)O)=C(CN(CC2=C(C=3C(=CC(=CC3C)C)O)C3=CC=CC=C3C=C2)CC2=C(C=3C(=CC(=CC3C)C)O)C3=CC=CC=C3C=C2)C=CC=2C1=CC=CC2