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2-propenamide, N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(3-methoxy-4-propoxyphenyl)-, (2E)-
SpectraBase Compound ID 7H8wo72PTFf
InChI InChI=1S/C22H25N3O3/c1-3-14-28-19-10-8-16(15-20(19)27-2)9-11-22(26)23-13-12-21-24-17-6-4-5-7-18(17)25-21/h4-11,15H,3,12-14H2,1-2H3,(H,23,26)(H,24,25)/b11-9+
InChIKey IQUOQWOYRLRZKT-PKNBQFBNSA-N
Mol Weight 379.46 g/mol
Molecular Formula C22H25N3O3
Exact Mass 379.189592 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ia7y2uyOdxM
Name 2-Propenamide, N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(3-methoxy-4-propoxyphenyl)-, (2E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.189591674 u
Formula C22H25N3O3
InChI InChI=1S/C22H25N3O3/c1-3-14-28-19-10-8-16(15-20(19)27-2)9-11-22(26)23-13-12-21-24-17-6-4-5-7-18(17)25-21/h4-11,15H,3,12-14H2,1-2H3,(H,23,26)(H,24,25)/b11-9+
InChIKey IQUOQWOYRLRZKT-PKNBQFBNSA-N
Molecular Weight 379.460 g/mol
SMILES N(C(\C=C\C=1C=C(OC)C(=CC1)OCCC)=O)CCC1=NC2=C(C=CC=C2)N1