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2-[1-(4-Chlorobenzyl)-1,4-dihydropyridin-4-ylidene]indan-1,3-dione
SpectraBase Compound ID 71uQKzO6mxG
InChI InChI=1S/C21H14ClNO2/c22-16-7-5-14(6-8-16)13-23-11-9-15(10-12-23)19-20(24)17-3-1-2-4-18(17)21(19)25/h1-12H,13H2
InChIKey MJNZBFLRCOKWIU-UHFFFAOYSA-N
Mol Weight 347.8 g/mol
Molecular Formula C21H14ClNO2
Exact Mass 347.071306 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BbzJB0pXMWa
Name 2-[1-(4-Chlorobenzyl)-1,4-dihydropyridin-4-ylidene]indan-1,3-dione
Comments Computed using HOSE algorithm
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Exact Mass 347.071306393 u
Formula C21H14ClNO2
InChI InChI=1S/C21H14ClNO2/c22-16-7-5-14(6-8-16)13-23-11-9-15(10-12-23)19-20(24)17-3-1-2-4-18(17)21(19)25/h1-12H,13H2
InChIKey MJNZBFLRCOKWIU-UHFFFAOYSA-N
Molecular Weight 347.801 g/mol
SMILES C1=CC=C2C(=C1)C(C(C2=O)=C1C=CN(CC2=CC=C(C=C2)Cl)C=C1)=O