Methylglyoxime(1804-15-5) MS
Product NameMethylglyoxime
CAS1804-15-5
Molecular FormulaC3H6N2O2
Molecular Weight102.09
InChIInChI=1S/C3H6N2O2/c1-3(5-7)2-4-6/h2,6-7H,1H3
InChIKey KFTHGQZJWAXFGG-UHFFFAOYSA-N
SmilesC(=NO)C(=NO)C
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MassMS-NW-5401 pyruvaldehyde dioxime C3H6N2O2 (Mass of molecular ion: 102)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
12.0 2.5 13.0 2.6 14.0 8.3 15.0 57.1 16.0 10.0 17.0 10.6 18.0 41.7 19.0 2.0 24.0 1.2 25.0 3.3 26.0 17.5 27.0 75.2 28.0 96.3 29.0 10.9 30.0 30.8 31.0 21.4 32.0 1.2 33.0 2.5 37.0 2.5 38.0 13.3 39.0 23.9 40.0 46.3 41.0 77.5 42.0 81.0 43.0 25.5 44.0 52.4 45.0 2.9 46.0 1.4 50.0 1.0 51.0 6.4 52.0 13.2 53.0 17.9 54.0 81.2 55.0 33.4 56.0 4.7 57.0 76.7 58.0 29.2 59.0 1.4 66.0 3.6 67.0 5.7 68.0 3.9 69.0 5.1 70.0 6.7 71.0 1.6 72.0 1.8 84.0 38.0 85.0 50.3 86.0 3.9 87.0 1.6 100.0 1.9 102.0 100.0 103.0 4.7
parameter in D2O
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1H NMR 300 MHz C3 H6 N2 O2 0.018 g : 0.5 ml D2O pyruvaldehyde dioxime 
Parameter ppm Hz
D(A) 7.798 D(B) 2.048
Hz ppm Int.2339.41 7.798 333 614.42 2.048 1000
KBr disc
nujol mull
4880 A,200 M,powder
