METHYL 2-PYRIDYLACETATE(1658-42-0) IR1
Product NameMETHYL 2-PYRIDYLACETATE
CAS1658-42-0
Molecular FormulaC8H9NO2
Molecular Weight151.16
InChIInChI=1S/C8H9NO2/c1-11-8(10)6-7-4-2-3-5-9-7/h2-5H,6H2,1H3
InChIKey ORAKNQSHWMHCEY-UHFFFAOYSA-N
SmilesC1(CC(OC)=O)=NC=CC=C1
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MassMS-NW-8870 methyl 2-pyridineacetate C8H9NO2 (Mass of molecular ion: 151)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 10.7 26.0 1.4 27.0 2.0 28.0 2.1 29.0 1.1 37.0 1.1 38.0 3.7 39.0 21.1 40.0 2.4 41.0 2.6 42.0 1.6 50.0 3.5 51.0 7.2 52.0 5.0 53.0 1.2 59.0 18.0 62.0 1.6 63.0 6.5 64.0 7.2 65.0 48.9 66.0 8.8 67.0 1.2 77.0 1.2 78.0 3.6 79.0 9.1 80.0 1.9 91.0 5.1 92.0 100.0 93.0 68.9 94.0 4.8 106.0 12.0 107.0 2.5 108.0 5.1 109.0 3.8 119.0 16.5 120.0 19.0 121.0 1.5 136.0 9.6 151.0 24.3 152.0 3.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H9 N O2 0.04 ml : 0.5 ml CDCl3 methyl 2-pyridineacetate 
Assign. Shift(ppm)
A 8.549 B 7.636 C 7.29 D 7.20 E 3.856 F 3.716 J(A,B)=1.9HZ. J(A,D)=4.9HZ. J(B,C)=J(B,D)=7.6HZ. J(C,D)=1.2HZ.
Hz ppm Int.769.94 8.597 31 768.25 8.579 40 765.13 8.544 37 764.31 8.535 42 764.06 8.532 42 763.31 8.523 44 686.56 7.666 57 684.69 7.646 62 678.94 7.581 60 677.06 7.560 58 656.31 7.329 90 649.31 7.251 82 648.44 7.241 81 644.50 7.197 44 643.13 7.181 37 641.94 7.168 35 345.38 3.857 449 332.81 3.717 1000
in CDCl3
liquid film
