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

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(2E)-3-(1,3-benzodioxol-5-yl)-N-(2,3-dichlorophenyl)-2-propenamide
SpectraBase Compound ID ISjMyIWtS9b
InChI InChI=1S/C16H11Cl2NO3/c17-11-2-1-3-12(16(11)18)19-15(20)7-5-10-4-6-13-14(8-10)22-9-21-13/h1-8H,9H2,(H,19,20)/b7-5+
InChIKey CAPPPCNZPYNFGD-FNORWQNLSA-N
Mol Weight 336.17 g/mol
Molecular Formula C16H11Cl2NO3
Exact Mass 335.011599 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3xnGjCWGPUE
Name (2E)-3-(1,3-Benzodioxol-5-yl)-N-(2,3-dichlorophenyl)-2-propenamide
Comments Computed using HOSE algorithm
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Exact Mass 335.011598615 u
Formula C16H11Cl2NO3
InChI InChI=1S/C16H11Cl2NO3/c17-11-2-1-3-12(16(11)18)19-15(20)7-5-10-4-6-13-14(8-10)22-9-21-13/h1-8H,9H2,(H,19,20)/b7-5+
InChIKey CAPPPCNZPYNFGD-FNORWQNLSA-N
Molecular Weight 336.174 g/mol
SMILES N(C=1C(=C(Cl)C=CC1)Cl)C(\C=C\C=1C=C2OCOC2=CC1)=O