1,3-DIETHYL-2-THIOBARBITURIC ACID(5217-47-0) IR2
Product Name1,3-DIETHYL-2-THIOBARBITURIC ACID
CAS5217-47-0
Molecular FormulaC8H12N2O2S
Molecular Weight200.26
InChIInChI=1S/C8H12N2O2S/c1-3-9-6(11)5-7(12)10(4-2)8(9)13/h3-5H2,1-2H3
InChIKey SHBTUGJAKBRBBJ-UHFFFAOYSA-N
SmilesC1(=S)N(CC)C(=O)CC(=O)N1CC
-
MassMS-NW-8124 1,3-diethyl-2-thiobarbituric acid C8H12N2O2S (Mass of molecular ion: 200)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 2.0 18.0 1.0 27.0 6.7 28.0 6.4 29.0 8.4 30.0 1.5 41.0 2.5 42.0 11.7 43.0 10.0 44.0 27.2 45.0 1.5 54.0 2.6 55.0 3.3 56.0 9.9 57.0 7.5 58.0 7.2 59.0 5.2 60.0 14.6 61.0 1.6 68.0 1.1 69.0 20.1 70.0 13.2 71.0 2.5 72.0 2.2 73.0 2.1 74.0 1.1 75.0 2.3 83.0 4.1 84.0 1.3 85.0 6.0 86.0 12.5 87.0 5.9 88.0 12.9 89.0 8.2 90.0 1.0 95.0 1.4 96.0 1.4 97.0 16.4 98.0 2.7 99.0 4.9 101.0 1.3 102.0 2.3 103.0 4.3 112.0 6.0 113.0 1.1 115.0 1.4 116.0 2.1 129.0 7.8 130.0 5.3 131.0 3.9 139.0 1.2 140.0 3.9 141.0 11.8 142.0 1.0 143.0 6.4 144.0 7.1 157.0 2.3 158.0 4.6 159.0 1.4 167.0 8.8 168.0 2.1 171.0 6.9 172.0 4.2 199.0 30.8 200.0 100.0 201.0 12.0 202.0 5.4
in CDCl3
KBr disc
nujol mull
