4-ACETAMIDOPYRIDINE(5221-42-1) IR1
Product Name4-ACETAMIDOPYRIDINE
CAS5221-42-1
Molecular FormulaC7H8N2O
Molecular Weight136.15
InChIInChI=1S/C7H8N2O/c1-6(10)9-7-2-4-8-5-3-7/h2-5H,1H3,(H,8,9,10)
InChIKey BIJAWQUBRNHZGE-UHFFFAOYSA-N
SmilesC(NC1C=CN=CC=1)(=O)C
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MassMS-IW-3941 N-(4-pyridyl)acetamide C7H8N2O (Mass of molecular ion: 136)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.8 26.0 1.4 28.0 6.5 37.0 1.2 38.0 3.2 39.0 8.8 40.0 5.7 41.0 7.1 42.0 4.4 43.0 57.3 44.0 1.8 50.0 2.8 51.0 7.3 52.0 4.7 53.0 1.2 54.0 1.9 64.0 1.0 65.0 1.4 66.0 4.4 67.0 35.4 68.0 3.5 77.0 1.0 78.0 3.9 93.0 5.5 94.0 100.0 95.0 7.8 107.0 1.3 108.0 5.4 136.0 54.8 137.0 4.9
in DMSO-d6
parameter in DMSO-d6
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1H NMR 300 MHz C7 H8 N2 O 30 % in DMSO N-(4-pyridyl)acetamide 
Parameter ppm Hz
D(A) 8.54 D(B) 7.69 J(A,A') 0.4 J(A,B) 5.4 J(A,B') 0.8 J(A',B) 0.8 J(A',B') 5.4 J(B,B') 1.5 D(C) 10.5 D(D) 2.25 BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.) 66, 159 (1962)
Hz ppm Int.3150.00 10.500 333 2565.13 8.550 223 2563.83 8.546 132 2560.32 8.534 136 2559.02 8.530 236 2310.10 7.700 233 2308.73 7.696 132 2305.29 7.684 129 2303.92 7.680 222 675.03 2.250 1000
in DMSO-d6
KBr disc
nujol mull
