Dimethyl aminoterephthalate(5372-81-6) IR1
Product NameDimethyl aminoterephthalate
CAS5372-81-6
Molecular FormulaC10H11NO4
Molecular Weight209.2
InChIInChI=1S/C10H11NO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,11H2,1-2H3
InChIKey DSSKDXUDARIMTR-UHFFFAOYSA-N
SmilesC1(C(OC)=O)=CC=C(C(OC)=O)C=C1N
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MassMS-IW-0841 dimethyl aminoterephthalate C10H11NO4 (Mass of molecular ion: 209)
Source Temperature: 130 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.1 28.0 1.1 45.5 1.5 52.0 1.8 59.5 2.1 63.0 2.9 64.0 1.3 65.0 1.3 73.5 1.9 88.5 2.0 89.0 1.0 90.0 3.0 91.0 1.7 92.0 1.3 107.0 2.4 118.0 6.1 119.0 16.1 120.0 2.2 122.0 1.1 135.0 8.7 146.0 2.7 150.0 19.7 151.0 2.8 177.0 100.0 178.0 35.8 179.0 3.9 209.0 90.4 210.0 10.6 211.0 1.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H11 N O4 0.038 g : 0.5 ml CDCl3 dimethyl aminoterephthalate 
Assign. Shift(ppm)
A 7.897 B 7.358 C 7.233 D 5.87 E *1 3.899 F *1 3.886
Hz ppm Int.3160.89 7.910 124 3160.40 7.908 117 3152.47 7.889 137 3152.10 7.888 125 2941.89 7.362 127 2941.41 7.360 125 2940.19 7.357 143 2939.82 7.356 126 2897.95 7.252 106 2896.24 7.247 102 2889.53 7.231 104 2887.94 7.227 96 1558.35 3.900 985 1553.10 3.887 1000
in CDCl3
KBr disc
nujol mull
