4,6-Dichloropyrimidine(1193-21-1) MS
Product Name4,6-Dichloropyrimidine
CAS1193-21-1
Molecular FormulaC4H2Cl2N2
Molecular Weight148.98
InChIInChI=1S/C4H2Cl2N2/c5-3-1-4(6)8-2-7-3/h1-2H
InChIKey XJPZKYIHCLDXST-UHFFFAOYSA-N
SmilesC1=NC(Cl)=CC(Cl)=N1
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MassMS-NW-8292 4,6-dichloropyrimidine C4H2Cl2N2 (Mass of molecular ion: 148)
Source Temperature: 130 °C Sample Temperature: 100 °C Direct, 75 eV
17.0 1.1 18.0 5.5 25.0 2.3 26.0 1.0 28.0 18.8 35.0 1.0 36.0 2.0 37.0 1.2 38.0 2.7 39.0 1.6 47.0 2.9 50.0 2.7 51.0 24.0 52.0 6.9 60.0 10.6 61.0 1.0 62.0 3.8 77.0 1.6 85.0 3.7 86.0 43.1 87.0 3.9 88.0 13.9 113.0 52.7 114.0 2.8 115.0 16.9 148.0 100.0 149.0 5.4 150.0 63.5 151.0 3.5 152.0 10.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H2 Cl2 N2 0.042 g : 0.5 ml CDCl3 4,6-dichloropyrimidine 
Assign. Shift(ppm)
A 8.824 B 7.460 J(A,B)=1.0HZ.
Hz ppm Int.790.75 8.830 206 790.00 8.821 218 668.69 7.467 1000 667.69 7.456 921
in CDCl3
KBr disc
nujol mull
