5-CARBETHOXY-2-THIOURACIL(38026-46-9) IR1
Product Name5-CARBETHOXY-2-THIOURACIL
CAS38026-46-9
Molecular FormulaC7H8N2O3S
Molecular Weight200.21
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MassMS-NW-7885 ethyl 4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate C7H8N2O3S (Mass of molecular ion: 200)
Source Temperature: 230 °C Sample Temperature: 190 °C Direct, 75 eV
14.0 1.9 15.0 2.4 17.0 1.5 18.0 6.1 25.0 1.7 26.0 7.6 27.0 21.6 28.0 44.3 29.0 24.3 31.0 10.6 32.0 8.9 33.0 1.0 38.0 2.1 39.0 4.2 40.0 11.3 41.0 9.4 42.0 10.4 43.0 5.2 44.0 16.9 45.0 12.7 46.0 2.6 50.0 1.3 51.0 6.0 52.0 2.4 53.0 18.3 54.0 1.4 55.0 4.7 57.0 1.5 58.0 4.0 59.0 24.6 60.0 13.5 61.0 1.8 67.0 6.4 68.0 18.0 69.0 31.7 70.0 6.4 71.0 1.9 72.0 3.3 83.0 1.4 84.0 1.2 85.0 30.3 86.0 9.4 87.0 7.8 94.0 1.4 95.0 3.5 96.0 15.0 97.0 1.3 98.0 4.9 99.0 1.6 100.0 5.9 110.0 2.4 111.0 1.4 112.0 4.1 113.0 1.5 114.0 4.8 126.0 5.5 127.0 2.4 128.0 56.2 129.0 4.5 130.0 3.0 142.0 4.1 154.0 11.7 155.0 44.3 156.0 24.4 157.0 4.1 158.0 1.3 172.0 11.3 173.0 1.0 200.0 100.0 201.0 10.3 202.0 5.7
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H8 N2 O3 S 0.038 g : 0.5 ml DMSO-d6 ethyl 4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate 
Assign. Shift(ppm)
A *1 12.8 B *1 12.7 C 7.985 D 4.182 E 1.246
Hz ppm Int.5118.16 12.807 31 5090.38 12.738 91 3191.59 7.986 607 1682.12 4.209 132 1675.07 4.192 437 1668.02 4.174 445 1660.97 4.157 138 505.36 1.265 491 498.31 1.247 1000 494.25 1.237 38 491.05 1.229 473
in DMSO-d6
KBr disc
nujol mull
