Ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate(5909-24-0) MS
Product NameEthyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate
CAS5909-24-0
Molecular FormulaC8H9ClN2O2S
Molecular Weight232.69
-
MassMS-IW-0717 ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate C8H9ClN2O2S (Mass of molecular ion: 232)
Source Temperature: 130 °C Sample Temperature: 90 °C Direct, 75 eV
27.0 1.1 29.0 2.8 36.0 1.5 45.0 1.4 46.0 1.2 47.0 1.6 53.0 1.5 73.0 1.6 74.0 1.6 86.0 1.6 87.0 2.9 88.0 1.1 89.0 1.1 95.0 1.9 96.0 1.0 102.0 1.0 110.0 1.1 112.0 3.5 113.0 1.1 114.0 1.9 122.0 1.0 123.0 3.3 124.0 1.1 130.0 2.8 131.0 1.8 132.0 1.7 137.0 1.5 140.0 1.8 141.0 1.0 144.0 1.0 151.0 1.8 157.0 1.2 158.0 8.7 159.0 3.8 160.0 3.6 161.0 1.3 168.0 9.2 169.0 3.2 171.0 1.0 186.0 7.0 187.0 22.2 188.0 4.2 189.0 8.4 203.0 5.7 204.0 37.2 205.0 5.2 206.0 14.0 207.0 1.2 214.0 4.1 231.0 1.7 232.0 100.0 233.0 12.2 234.0 37.6 235.0 4.3 236.0 1.8
parameter in DMSO-d6
-
1H NMR 300 MHz C8 H9 Cl N2 O2 S 0.038 g : 0.5 ml DMSO-d6 ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate 
Parameter ppm Hz
D(A) 8.439 D(B) 4.215 D(D) 1.263 J(B,D) 7.1 D(C) 2.545
Hz ppm Int.2531.68 8.439 333 1275.20 4.251 83 1268.14 4.227 250 1261.02 4.203 252 1253.96 4.180 86 763.53 2.545 1000 385.97 1.287 255 378.91 1.263 502 371.85 1.239 247
KBr disc
nujol mull
