2',4'-DIMETHOXYACETOACETANILIDE(16715-79-0) IR1
Product Name2',4'-DIMETHOXYACETOACETANILIDE
CAS16715-79-0
Molecular FormulaC12H15NO4
Molecular Weight237.25
InChIInChI=1S/C12H15NO4/c1-8(14)6-12(15)13-10-5-4-9(16-2)7-11(10)17-3/h4-5,7H,6H2,1-3H3,(H,13,15)
InChIKey IQWUCASGTZCNKK-UHFFFAOYSA-N
SmilesC(NC1=CC=C(OC)C=C1OC)(=O)CC(=O)C
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MassMS-IW-2644 2',4'-dimethoxyacetoacetanilide C12H15NO4 (Mass of molecular ion: 237)
Source Temperature: 160 °C Sample Temperature: 130 °C Direct, 75 eV
15.0 1.2 27.0 1.4 28.0 1.7 39.0 3.1 41.0 2.7 42.0 2.2 43.0 18.9 50.0 1.0 51.0 2.9 52.0 6.0 53.0 2.9 54.0 1.0 55.0 1.2 63.0 1.1 65.0 2.8 66.0 1.6 67.0 3.2 68.0 1.3 69.0 8.8 77.0 2.0 78.0 2.3 79.0 5.2 80.0 2.9 84.0 7.8 85.0 2.7 90.0 1.1 92.0 2.9 93.0 4.4 94.0 1.3 95.0 10.9 106.0 1.2 107.0 3.4 108.0 2.6 109.0 2.8 110.0 14.1 111.0 1.3 122.0 6.8 123.0 2.2 124.0 3.8 125.0 1.5 136.0 4.4 138.0 100.0 139.0 8.7 150.0 1.9 151.0 1.4 152.0 5.7 153.0 86.6 154.0 8.7 163.0 1.0 164.0 5.2 165.0 1.0 179.0 64.9 180.0 7.1 237.0 72.6 238.0 10.0 239.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H15 N O4 0.041 g : 0.5 ml CDCl3 2',4'-dimethoxyacetoacetanilide 
Assign. Shift(ppm)
A 9.02 B 8.176 C 6.474 D 8.450 E *1 3.867 F *1 3.782 G 3.572 J 2.312
Hz ppm Int.3604.98 9.021 40 3272.22 8.188 139 3263.43 8.166 147 2588.99 6.479 111 2586.55 6.473 202 2583.01 6.464 129 2580.32 6.457 63 2574.22 6.442 94 2571.53 6.435 69 1545.41 3.867 882 1511.60 3.783 1000 1427.49 3.572 472 923.95 2.312 803
in CDCl3
KBr disc
nujol mull
