trans-4,4'-bis(dimethylamino)chalcone(126443-08-1) IR2
Product Nametrans-4,4'-bis(dimethylamino)chalcone
CAS126443-08-1
Molecular FormulaC19H22N2O
Molecular Weight294.39078
InChIInChI=1S/C19H22N2O/c1-20(2)17-10-5-15(6-11-17)7-14-19(22)16-8-12-18(13-9-16)21(3)4/h5-14H,1-4H3/b14-7+
InChIKey YFMNMPLJIWVXER-VGOFMYFVSA-N
SmilesC(=C/C1=CC=C(N(C)C)C=C1)\C(C1=CC=C(N(C)C)C=C1)=O
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MassMS-NW-9755 trans-4,4'-bis(dimethylamino)chalcone C19H22N2O (Mass of molecular ion: 294)
Source Temperature: 190 °C Sample Temperature: 150 °C Direct, 75 eV
18.0 2.9 42.0 1.7 77.0 1.7 103.0 1.2 104.0 1.2 105.0 1.5 120.0 2.9 121.0 14.8 122.0 1.4 124.5 1.4 130.0 1.4 131.0 1.5 132.0 5.4 132.5 3.9 133.0 8.2 133.5 1.5 134.0 1.6 144.0 1.7 145.0 2.6 146.0 6.9 147.0 1.3 148.0 9.1 149.0 1.1 173.0 8.0 174.0 7.4 175.0 1.0 178.0 1.3 207.0 1.6 221.0 3.8 222.0 2.7 234.0 2.0 235.0 1.7 236.0 4.4 237.0 1.9 238.0 1.0 249.0 3.6 250.0 17.2 251.0 10.2 252.0 2.0 253.0 1.0 261.0 1.3 262.0 1.0 263.0 1.3 264.0 1.3 265.0 3.7 266.0 14.6 267.0 3.0 277.0 8.2 278.0 3.5 279.0 6.9 280.0 2.4 293.0 19.2 294.0 100.0 295.0 21.0 296.0 2.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C19 H22 N2 O 0.031 g : 0.5 ml CDCl3 trans-4,4'-bis(dimethylamino)chalcone 
Assign. Shift(ppm)
1 7.997 B 7.766 C 7.533 D 7.402 E 6.68 F *1 3.041 G *1 3.004 J(B,D)=15.4HZ.
Hz ppm Int.3200.68 8.009 125 3198.73 8.004 46 3193.73 7.992 41 3191.65 7.987 136 3111.82 7.787 62 3096.44 7.748 70 3015.26 7.545 106 3013.67 7.541 43 3008.42 7.528 38 3006.35 7.523 110 2965.33 7.420 97 2949.95 7.382 79 2675.78 6.696 138 2673.83 6.691 152 2668.70 6.678 53 2666.75 6.673 157 2665.04 6.669 126 1215.45 3.042 995 1207.15 3.021 34 1200.56 3.005 1000
in CDCl3
KBr disc
nujol mull
