Ethyl 2-pyridylacetate(2739-98-2) IR1
Product NameEthyl 2-pyridylacetate
CAS2739-98-2
Molecular FormulaC9H11NO2
Molecular Weight165.19
InChIInChI=1S/C9H11NO2/c1-2-12-9(11)7-8-5-3-4-6-10-8/h3-6H,2,7H2,1H3
InChIKey IUDKTVXSXWAKJO-UHFFFAOYSA-N
SmilesC1(CC(OCC)=O)=NC=CC=C1
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MassMS-NW-5489 ethyl (2-pyridyl)acetate C9H11NO2 (Mass of molecular ion: 165)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.1 26.0 2.1 27.0 8.1 28.0 2.1 29.0 43.3 31.0 1.6 38.0 2.7 39.0 15.7 40.0 1.8 41.0 1.6 50.0 2.3 51.0 5.0 52.0 3.1 53.0 1.1 62.0 1.2 63.0 4.3 64.0 5.0 65.0 28.8 66.0 7.7 67.0 1.3 78.0 2.2 79.0 1.4 91.0 3.5 92.0 76.8 93.0 100.0 94.0 7.3 106.0 2.9 119.0 4.0 120.0 25.7 121.0 2.4 136.0 2.8 165.0 11.3 166.0 1.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H11 N O2 0.04 ml : 0.5 ml CDCl3 ethyl (2-pyridyl)acetate 
Assign. Shift(ppm)
A 8.548 B 7.631 C 7.29 D 7.19 E 4.179 F 3.839 G 1.255
Hz ppm Int.769.69 8.595 49 768.69 8.583 60 767.88 8.574 63 766.88 8.563 60 764.81 8.540 58 763.81 8.529 66 763.00 8.520 69 762.00 8.509 63 693.75 7.747 47 691.88 7.726 47 685.88 7.659 86 684.19 7.640 92 678.50 7.576 106 676.63 7.556 103 657.75 7.345 63 656.44 7.330 137 655.38 7.318 141 649.88 7.257 55 648.69 7.244 154 647.56 7.231 99 643.81 7.189 75 642.56 7.175 62 641.31 7.161 60 640.00 7.147 53 636.44 7.107 54 635.13 7.092 49 385.31 4.303 107 378.13 4.223 366 371.00 4.143 386 363.94 4.064 128 343.81 3.839 695 119.25 1.332 466 112.19 1.253 1000 105.00 1.173 412
in CDCl3
liquid film
