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(2E)-3-(1,3-benzodioxol-5-yl)-N-benzyl-2-cyano-2-propenamide

View entire compound with spectra: 2 NMR

(2E)-3-(1,3-benzodioxol-5-yl)-N-benzyl-2-cyano-2-propenamide
SpectraBase Compound ID J07WrbaFfdH
InChI InChI=1S/C18H14N2O3/c19-10-15(18(21)20-11-13-4-2-1-3-5-13)8-14-6-7-16-17(9-14)23-12-22-16/h1-9H,11-12H2,(H,20,21)/b15-8+
InChIKey MMEFDZQZCSTJGC-OVCLIPMQSA-N
Mol Weight 306.32 g/mol
Molecular Formula C18H14N2O3
Exact Mass 306.100442 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JikGSZB52t3
Name (2E)-3-(1,3-Benzodioxol-5-yl)-N-benzyl-2-cyano-2-propenamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.100442316 u
Formula C18H14N2O3
InChI InChI=1S/C18H14N2O3/c19-10-15(18(21)20-11-13-4-2-1-3-5-13)8-14-6-7-16-17(9-14)23-12-22-16/h1-9H,11-12H2,(H,20,21)/b15-8+
InChIKey MMEFDZQZCSTJGC-OVCLIPMQSA-N
Molecular Weight 306.321 g/mol
SMILES N(C(\C(=C\C=1C=C2OCOC2=CC1)C#N)=O)CC1=CC=CC=C1