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1-(4-Methoxyphenyl)-N-[4-(propan-2-yl)benzyl]-1H-benzimidazol-5-amine, N-acetyl-
SpectraBase Compound ID 9etfz0mOTud
InChI InChI=1S/C26H27N3O2/c1-18(2)21-7-5-20(6-8-21)16-28(19(3)30)23-11-14-26-25(15-23)27-17-29(26)22-9-12-24(31-4)13-10-22/h5-15,17-18H,16H2,1-4H3
InChIKey XVVZOSKRTBLLBJ-UHFFFAOYSA-N
Mol Weight 413.52 g/mol
Molecular Formula C26H27N3O2
Exact Mass 413.210327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ASV2HMNHFgu
Name 1-(4-Methoxyphenyl)-N-[4-(propan-2-yl)benzyl]-1H-benzimidazol-5-amine, N-acetyl-
Comments Computed using HOSE algorithm
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Exact Mass 413.210327119 u
Formula C26H27N3O2
InChI InChI=1S/C26H27N3O2/c1-18(2)21-7-5-20(6-8-21)16-28(19(3)30)23-11-14-26-25(15-23)27-17-29(26)22-9-12-24(31-4)13-10-22/h5-15,17-18H,16H2,1-4H3
InChIKey XVVZOSKRTBLLBJ-UHFFFAOYSA-N
Molecular Weight 413.521 g/mol
SMILES C1=2N(C=NC2C=C(C=C1)N(CC1=CC=C(C=C1)C(C)C)C(C)=O)C1=CC=C(C=C1)OC