4-Pyridinealdoxime(696-54-8) MS
Product Name4-Pyridinealdoxime
CAS696-54-8
Molecular FormulaC6H6N2O
Molecular Weight122.12
InChIInChI=1S/C6H6N2O/c9-8-5-6-1-3-7-4-2-6/h1-5,9H
InChIKey OFYLBLSSPQTTHT-UHFFFAOYSA-N
SmilesC1=NC=CC(C=NO)=C1
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MassMS-NW-4676 isonicotinaldehyde oxime C6H6N2O (Mass of molecular ion: 122)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
17.0 2.5 18.0 9.5 25.0 1.0 26.0 10.0 27.0 2.8 28.0 13.4 30.0 1.2 36.0 1.2 37.0 5.8 38.0 8.2 38.5 1.1 39.0 15.9 40.0 9.4 41.0 8.8 42.0 1.2 44.0 2.9 48.0 1.0 49.0 5.2 50.0 36.2 51.0 65.0 52.0 15.9 53.0 5.2 54.0 7.3 55.0 1.1 61.0 1.6 62.0 2.9 63.0 8.8 64.0 12.4 65.0 11.1 66.0 6.6 67.0 16.3 68.0 9.7 69.0 1.0 75.0 5.9 76.0 14.4 77.0 38.4 78.0 33.3 79.0 12.3 92.0 5.6 93.0 9.8 94.0 33.2 95.0 10.4 103.0 3.5 104.0 51.9 105.0 8.2 106.0 7.3 121.0 3.0 122.0 100.0 123.0 7.3
parameter in DMSO-d6
90 MHz in CDCl3
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1H NMR 300 MHz C6 H6 N2 O 30 % in DMSO isonicotinaldehyde oxime 
Parameter ppm Hz
D(A) 8.83 D(B) 7.75 J(A,A') 0.4 J(A,B) 5.2 J(A,B') 0.8 J(A',B) 0.8 J(A',B') 5.2 J(B,B') 1.5 D(C) 8.40 D(D) 12.45 BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.) 66, 159 (1962)
Hz ppm Int.3735.01 12.450 1000 2652.01 8.840 671 2650.70 8.836 398 2647.42 8.825 398 2646.07 8.820 694 2519.99 8.400 1000 2327.97 7.760 695 2326.66 7.756 407 2323.33 7.744 398 2322.02 7.740 671
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1H NMR 89.56 MHz C6 H6 N2 O 0.042 g : 0.5 ml CDCl3 isonicotinaldehyde oxime Assign. Shift(ppm)
A 12. B 8.65 C 8.147 D 7.55
Hz ppm Int.783.91 8.753 27 783.23 8.746 29 782.03 8.732 36 781.69 8.729 38 781.18 8.723 41 780.75 8.718 46 777.59 8.683 761 776.05 8.666 448 773.06 8.632 462 771.44 8.614 846 767.93 8.575 29 729.65 8.148 1000 681.63 7.611 27 679.32 7.586 799 677.70 7.567 478 674.71 7.534 416 673.08 7.516 746 669.32 7.474 45
in CDCl3
KBr disc
nujol mull
