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2-([1,1'-biphenyl]-4-yloxy)-N-[3-(1H-imidazol-1-yl)propyl]propanamide
SpectraBase Compound ID CJui85AeGxj
InChI InChI=1S/C21H23N3O2/c1-17(21(25)23-12-5-14-24-15-13-22-16-24)26-20-10-8-19(9-11-20)18-6-3-2-4-7-18/h2-4,6-11,13,15-17H,5,12,14H2,1H3,(H,23,25)
InChIKey ZPBYZRAGZJDBON-UHFFFAOYSA-N
Mol Weight 349.43 g/mol
Molecular Formula C21H23N3O2
Exact Mass 349.179027 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K59VQnmVnfA
Name 2-([1,1'-Biphenyl]-4-yloxy)-N-[3-(1H-imidazol-1-yl)propyl]propanamide
Comments Computed using HOSE algorithm
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Exact Mass 349.179026991 u
Formula C21H23N3O2
InChI InChI=1S/C21H23N3O2/c1-17(21(25)23-12-5-14-24-15-13-22-16-24)26-20-10-8-19(9-11-20)18-6-3-2-4-7-18/h2-4,6-11,13,15-17H,5,12,14H2,1H3,(H,23,25)
InChIKey ZPBYZRAGZJDBON-UHFFFAOYSA-N
Molecular Weight 349.434 g/mol
SMILES N(C(C(OC1=CC=C(C=C1)C=1C=CC=CC1)C)=O)CCCN1C=NC=C1