2-Ethylhexyl 4-dimethylaminobenzoate (21245-02-3) 1H NMR
Product Name2-Ethylhexyl 4-dimethylaminobenzoate
CAS21245-02-3
Molecular FormulaC17H27NO2
Molecular Weight277.4
InChIInChI=1S/C17H27NO2/c1-5-7-8-14(6-2)13-20-17(19)15-9-11-16(12-10-15)18(3)4/h9-12,14H,5-8,13H2,1-4H3
InChIKey WYWZRNAHINYAEF-UHFFFAOYSA-N
SmilesC(OCC(CC)CCCC)(=O)C1=CC=C(N(C)C)C=C1
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MassMS-NW-9249 2-ethylhexyl p-(dimethylamino)benzoate C17H27NO2 (Mass of molecular ion: 277)
Source Temperature: 150 °C Sample Temperature: 100 °C Direct, 75 eV
29.0 1.4 41.0 2.4 42.0 4.2 43.0 1.5 55.0 1.6 57.0 1.0 77.0 2.8 78.0 1.0 79.0 1.8 91.0 1.3 104.0 1.6 105.0 2.3 118.0 1.2 119.0 1.7 120.0 2.9 121.0 1.1 148.0 29.3 149.0 3.9 164.0 20.3 165.0 100.0 166.0 12.2 167.0 1.1 277.0 36.4 278.0 7.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C17 H27 N O2 0.04 ml : 0.5 ml CDCl3 2-ethylhexyl p-(dimethylamino)benzoate 
Assign. Shift(ppm)
A 7.906 B 6.652 C 4.183 D 3.027 E 1.62 F 1.56 to 1.26 G 0.94 J 0.90 J(C,E)=5.3HZ.
Hz ppm Int.713.00 7.962 116 710.81 7.937 33 706.00 7.883 37 703.81 7.859 136 600.00 6.700 98 597.88 6.676 30 590.81 6.597 84 377.31 4.213 102 372.00 4.154 105 271.06 3.027 1000 136.13 1.520 41 130.88 1.462 41 130.56 1.458 42 128.81 1.439 65 120.88 1.350 139 91.50 1.022 53 90.63 1.012 73 86.50 0.966 49 86.19 0.963 49 84.00 0.938 157 82.25 0.919 69 81.75 0.913 67 80.56 0.900 109 77.38 0.865 41 76.56 0.855 45 74.94 0.837 31 74.63 0.834 32
in CDCl3
liquid film
4880 A,200 M,liquid
