2'-DIMETHYLAMINO-5'-NITROACETANILIDE(5367-36-2) IR2
Product Name2'-DIMETHYLAMINO-5'-NITROACETANILIDE
CAS5367-36-2
Molecular FormulaC10H13N3O3
Molecular Weight223.23
InChIInChI=1S/C10H13N3O3/c1-7(14)11-9-6-8(13(15)16)4-5-10(9)12(2)3/h4-6H,1-3H3,(H,11,14)
InChIKey TZSQCGFTOHIDIB-UHFFFAOYSA-N
SmilesC(NC1=CC([N+]([O-])=O)=CC=C1N(C)C)(=O)C
-
MassMS-IW-1287 2'-dimethylamino-5'-nitroacetanilide C10H13N3O3 (Mass of molecular ion: 223)
Source Temperature: 180 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 3.8 17.0 1.1 18.0 5.3 27.0 2.0 28.0 4.6 30.0 6.2 39.0 3.0 41.0 1.8 42.0 7.3 43.0 18.3 44.0 8.4 50.0 1.1 51.0 2.4 52.0 2.4 63.0 2.7 64.0 1.9 65.0 4.8 66.0 1.9 67.0 1.1 76.0 1.3 77.0 2.3 78.0 2.8 79.0 1.5 80.0 1.1 90.0 1.4 91.0 3.1 92.0 9.5 93.0 3.2 94.0 2.7 104.0 1.7 105.0 2.7 106.0 3.8 107.0 2.3 108.0 2.6 117.0 1.8 118.0 5.2 119.0 9.2 120.0 5.8 121.0 1.1 122.0 1.5 131.0 2.4 132.0 8.0 133.0 9.6 134.0 28.2 135.0 6.9 136.0 2.5 138.0 1.2 145.0 1.0 146.0 1.6 147.0 5.5 148.0 2.0 149.0 2.1 150.0 1.1 151.0 2.7 152.0 2.7 161.0 1.8 162.0 7.4 163.0 6.9 164.0 14.2 165.0 15.9 166.0 35.3 167.0 3.0 175.0 1.8 176.0 2.2 177.0 6.4 178.0 4.5 179.0 1.3 180.0 87.5 181.0 22.0 182.0 2.3 190.0 1.7 191.0 3.0 192.0 1.0 193.0 5.1 194.0 1.2 204.0 1.0 205.0 1.8 206.0 10.7 207.0 3.3 208.0 7.8 223.0 100.0 224.0 13.7 225.0 1.5
90 MHz in CDCl3
-
1H NMR 89.56 MHz C10 H13 N3 O3 0.043 g : 0.5 ml CDCl3 2'-dimethylamino-5'-nitroacetanilide 
Assign. Shift(ppm)
A 9.09 B 8.1 C 7.908 D 7.164 E 2.754 F 2.269
Hz ppm Int.815.00 9.101 39 812.31 9.071 40 714.44 7.978 47 711.75 7.948 45 705.63 7.879 57 702.94 7.849 55 645.50 7.208 84 636.69 7.110 65 246.75 2.756 1000 203.25 2.270 554
in CDCl3
KBr disc
nujol mull
