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2-propenamide, N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)-, (2E)-
SpectraBase Compound ID E5ngr8bD4uP
InChI InChI=1S/C19H17N3O3/c23-19(8-6-13-5-7-16-17(11-13)25-12-24-16)20-10-9-18-21-14-3-1-2-4-15(14)22-18/h1-8,11H,9-10,12H2,(H,20,23)(H,21,22)/b8-6+
InChIKey DGLOKGVZKDWYBY-SOFGYWHQSA-N
Mol Weight 335.36 g/mol
Molecular Formula C19H17N3O3
Exact Mass 335.126991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AXUGWQ23Rqw
Name 2-Propenamide, N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)-, (2E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.126991416 u
Formula C19H17N3O3
InChI InChI=1S/C19H17N3O3/c23-19(8-6-13-5-7-16-17(11-13)25-12-24-16)20-10-9-18-21-14-3-1-2-4-15(14)22-18/h1-8,11H,9-10,12H2,(H,20,23)(H,21,22)/b8-6+
InChIKey DGLOKGVZKDWYBY-SOFGYWHQSA-N
SMILES N1C=2C(N=C1CCNC(\C=C\C1=CC=3OCOC3C=C1)=O)=CC=CC2