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5-(5,6-Dimethyl-1H-benzo[D]imidazol-2-yl)-2-hydroxybenzoyl phe dev.
SpectraBase Compound ID F2ZSmkrvxmx
InChI InChI=1S/C26H25N3O4/c1-15-11-20-21(12-16(15)2)28-24(27-20)18-9-10-23(30)19(14-18)25(31)29-22(26(32)33-3)13-17-7-5-4-6-8-17/h4-12,14,22,30H,13H2,1-3H3,(H,27,28)(H,29,31)
InChIKey LSBMTUQUNMDFLB-UHFFFAOYSA-N
Mol Weight 443.5 g/mol
Molecular Formula C26H25N3O4
Exact Mass 443.184506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CZc7R4MU5M3
Name 5-(5,6-Dimethyl-1H-benzo[D]imidazol-2-yl)-2-hydroxybenzoyl phe dev.
Comments Computed using HOSE algorithm
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Exact Mass 443.184506293 u
Formula C26H25N3O4
InChI InChI=1S/C26H25N3O4/c1-15-11-20-21(12-16(15)2)28-24(27-20)18-9-10-23(30)19(14-18)25(31)29-22(26(32)33-3)13-17-7-5-4-6-8-17/h4-12,14,22,30H,13H2,1-3H3,(H,27,28)(H,29,31)
InChIKey LSBMTUQUNMDFLB-UHFFFAOYSA-N
Molecular Weight 443.503 g/mol
SMILES C1(=NC2=CC(C)=C(C=C2N1)C)C=1C=C(C(NC(C(=O)OC)CC2=CC=CC=C2)=O)C(O)=CC1