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1-[3,5-bis(Benzimidazol-1-ylmethyl)-2,4,6-trimethyl-benzyl]benzimidazole
SpectraBase Compound ID 2WvPWG6fgXY
InChI InChI=1S/C33H30N6/c1-22-25(16-37-19-34-28-10-4-7-13-31(28)37)23(2)27(18-39-21-36-30-12-6-9-15-33(30)39)24(3)26(22)17-38-20-35-29-11-5-8-14-32(29)38/h4-15,19-21H,16-18H2,1-3H3
InChIKey RNKPMPHBPCNOHW-UHFFFAOYSA-N
Mol Weight 510.6 g/mol
Molecular Formula C33H30N6
Exact Mass 510.253195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LF7RIEp1fJQ
Name 1-[3,5-bis(Benzimidazol-1-ylmethyl)-2,4,6-trimethyl-benzyl]benzimidazole
Comments Computed using HOSE algorithm
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Exact Mass 510.253194990 u
Formula C33H30N6
InChI InChI=1S/C33H30N6/c1-22-25(16-37-19-34-28-10-4-7-13-31(28)37)23(2)27(18-39-21-36-30-12-6-9-15-33(30)39)24(3)26(22)17-38-20-35-29-11-5-8-14-32(29)38/h4-15,19-21H,16-18H2,1-3H3
InChIKey RNKPMPHBPCNOHW-UHFFFAOYSA-N
Molecular Weight 510.645 g/mol
SMILES C1(=C(C(CN2C=NC3=C2C=CC=C3)=C(C(=C1C)CN1C=NC2=C1C=CC=C2)C)C)CN1C=NC2=C1C=CC=C2