3-Picoline-N-oxide(1003-73-2) MS
Product Name3-Picoline-N-oxide
CAS1003-73-2
Molecular FormulaC6H7NO
Molecular Weight109.13
InChIInChI=1S/C6H7NO/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChIKey DMGGLIWGZFZLIY-UHFFFAOYSA-N
SmilesC1[N+]([O-])=CC=CC=1C
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MassMS-NW-1345 3-methylpyridine N-oxide C6H7NO (Mass of molecular ion: 109)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.5 17.0 1.3 18.0 6.5 26.0 3.1 27.0 13.5 28.0 7.6 29.0 2.0 30.0 1.6 37.0 4.3 38.0 9.1 39.0 50.4 40.0 10.7 41.0 6.0 42.0 2.9 43.0 9.1 44.0 2.7 45.0 2.0 50.0 7.1 51.0 12.7 52.0 7.7 53.0 34.6 54.0 17.8 54.5 1.0 55.0 2.6 60.0 1.7 61.0 2.1 62.0 3.5 63.0 7.5 64.0 3.3 65.0 21.9 66.0 23.6 67.0 6.5 77.0 4.8 78.0 4.6 80.0 12.6 81.0 11.8 82.0 5.1 92.0 17.8 93.0 53.7 94.0 3.7 109.0 100.0 110.0 7.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H7 N O 0.04 ml : 0.5 ml CDCl3 3-methylpyridine N-oxide 
Assign. Shift(ppm)
A 8.10 B 8.07 C 7.20 D 7.11 E 2.33
Hz ppm Int.
726.81 8.116 184 726.06 8.107 206 725.06 8.096 268 724.50 8.090 270 722.75 8.071 150 722.00 8.062 104 720.63 8.047 106 720.00 8.040 107 718.88 8.027 53 718.25 8.020 44 654.25 7.306 41 646.50 7.219 151 644.88 7.201 91 642.75 7.177 112 642.13 7.170 153 640.25 7.149 310 211.44 2.361 31 208.75 2.331 939 208.31 2.326 1000
in CDCl3
liquid film
