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(2E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-2-propenamide

View entire compound with spectra: 2 NMR

(2E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-2-propenamide
SpectraBase Compound ID 4iSCsR7GaJv
InChI InChI=1S/C17H14ClNO3/c18-14-5-1-12(2-6-14)4-8-17(20)19-10-13-3-7-15-16(9-13)22-11-21-15/h1-9H,10-11H2,(H,19,20)/b8-4+
InChIKey ILYUPHAGHSLOLQ-XBXARRHUSA-N
Mol Weight 315.76 g/mol
Molecular Formula C17H14ClNO3
Exact Mass 315.066221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H5aSHm7xIjb
Name (2E)-N-(1,3-Benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-2-propenamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.066221012 u
Formula C17H14ClNO3
InChI InChI=1S/C17H14ClNO3/c18-14-5-1-12(2-6-14)4-8-17(20)19-10-13-3-7-15-16(9-13)22-11-21-15/h1-9H,10-11H2,(H,19,20)/b8-4+
InChIKey ILYUPHAGHSLOLQ-XBXARRHUSA-N
Molecular Weight 315.756 g/mol
SMILES N(C(\C=C\C1=CC=C(C=C1)Cl)=O)CC1=CC2=C(OCO2)C=C1