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2-Chloro-3-methylpyrazine(95-58-9) 1H NMR
Product Name2-Chloro-3-methylpyrazine
CAS95-58-9
Molecular FormulaC5H5ClN2
Molecular Weight128.56
InChIInChI=1S/C5H5ClN2/c1-4-5(6)8-3-2-7-4/h2-3H,1H3
InChIKey WZHWPZQQPWKEAV-UHFFFAOYSA-N
SmilesC1(Cl)=NC=CN=C1C
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Parameter ppm Hz
D(A) 8.202 D(B) 8.378 D(C) 2.657 J(A,B) 2.52 J(A,C) 0.68 J(B,C) 0.2 COX,R.H. & BOTHNER-BY,A.A. J.PHYS.CHEM. 72, 1642 (1968) J(B,C) LESS THAN 0.2HZ.Spectral Code: 1H NMR : parameter in CDCl3
