N,N-Dimethylaminomethylferrocene (1271-86-9) IR2
Product NameN,N-Dimethylaminomethylferrocene
CAS1271-86-9
Molecular FormulaC13H17FeN10*
Molecular Weight243.13
InChIInChI=1S/C8H12N.C5H5.Fe/c1-9(2)7-8-5-3-4-6-8;1-2-4-5-3-1;/h3-6H,7H2,1-2H3;1-5H;
InChIKey JJJSTEANRWLZBH-UHFFFAOYSA-N
Smiles[C]1(CN(C)C)[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe] |^1:0,5,6,7,8,9,10,11,12,13|
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MassMS-NW-2186 (dimethylaminomethyl)ferrocene C13H17FeN (Mass of molecular ion: 243)
Source Temperature: 280 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 2.1 17.0 1.0 18.0 4.8 28.0 1.3 30.0 2.2 39.0 4.0 41.0 1.0 42.0 9.1 43.0 2.1 44.0 7.5 45.0 2.4 51.0 1.8 52.0 1.7 54.0 1.6 56.0 25.5 57.0 2.6 58.0 11.3 65.0 2.0 66.0 1.6 72.0 1.1 77.0 3.8 78.0 5.5 79.0 4.1 81.0 3.3 83.0 1.9 94.0 2.2 95.0 3.6 97.0 2.7 99.0 3.8 100.0 1.0 106.0 2.0 119.0 3.6 120.0 2.4 121.0 50.1 122.0 7.2 128.0 1.0 129.0 1.5 134.0 8.7 135.0 6.1 148.0 1.6 160.0 1.3 161.0 2.3 162.0 16.7 163.0 14.6 164.0 2.9 165.0 1.3 175.0 5.0 176.0 1.1 177.0 5.8 178.0 4.0 184.0 1.8 186.0 23.0 187.0 3.4 197.0 6.6 198.0 2.1 199.0 100.0 200.0 30.5 201.0 3.6 214.0 1.7 227.0 2.7 228.0 1.8 240.0 1.4 241.0 6.5 242.0 17.2 243.0 98.4 244.0 16.6 245.0 1.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C13 H17 Fe N 0.04 ml : 0.5 ml CDCl3 (dimethylaminomethyl)ferrocene 
Assign. Shift(ppm)
A 4.12 B 3.276 C 2.162
Hz ppm Int.374.25 4.179 30 372.63 4.161 75 372.50 4.160 75 371.06 4.144 120 368.69 4.117 139 367.31 4.102 1000 362.94 4.053 30 293.38 3.276 157 193.63 2.163 621
CCl4 solution
liquid film
