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2-[1-(2,6-Dichlorobenzyl)-2-methyl-1,4-dihydropyridin-4-ylidene]-indan-1,3-dione
SpectraBase Compound ID G4v9tz7iY2n
InChI InChI=1S/C22H15Cl2NO2/c1-13-11-14(20-21(26)15-5-2-3-6-16(15)22(20)27)9-10-25(13)12-17-18(23)7-4-8-19(17)24/h2-11H,12H2,1H3
InChIKey XPKNPRNVYRVWJD-UHFFFAOYSA-N
Mol Weight 396.27 g/mol
Molecular Formula C22H15Cl2NO2
Exact Mass 395.047984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JDPvm5Qe4uf
Name 2-[1-(2,6-Dichlorobenzyl)-2-methyl-1,4-dihydropyridin-4-ylidene]-indan-1,3-dione
Comments Computed using HOSE algorithm
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Exact Mass 395.047984125 u
Formula C22H15Cl2NO2
InChI InChI=1S/C22H15Cl2NO2/c1-13-11-14(20-21(26)15-5-2-3-6-16(15)22(20)27)9-10-25(13)12-17-18(23)7-4-8-19(17)24/h2-11H,12H2,1H3
InChIKey XPKNPRNVYRVWJD-UHFFFAOYSA-N
Molecular Weight 396.273 g/mol
SMILES C(N1C(=CC(C=C1)=C1C(C2=CC=CC=C2C1=O)=O)C)C1=C(C=CC=C1Cl)Cl