2-Thiobarbituric acid(504-17-6) 13C NMR
Product Name2-Thiobarbituric acid
CAS504-17-6
Molecular FormulaC4H4N2O2S
Molecular Weight144.15
InChIInChI=1S/C4H4N2O2S/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
InChIKey RVBUGGBMJDPOST-UHFFFAOYSA-N
SmilesC1(=S)NC(=O)CC(=O)N1
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MassMS-NW-0274 2-thiobarbituric acid C4H4N2O2S (Mass of molecular ion: 144)
Source Temperature: 160 °C Sample Temperature: 0 °C Direct, 75 eV
14.0 2.0 17.0 1.7 18.0 9.0 27.0 1.4 28.0 4.5 29.0 1.3 32.0 3.0 40.0 1.3 41.0 5.1 42.0 42.7 43.0 40.1 44.0 2.4 45.0 1.1 46.0 2.8 47.0 2.8 55.0 3.0 56.0 4.5 57.0 3.0 58.0 2.0 59.0 23.9 60.0 4.8 61.0 1.1 68.0 1.1 69.0 25.9 70.0 1.0 71.0 1.5 73.0 1.5 74.0 2.4 76.0 2.8 81.0 1.4 83.0 1.6 84.0 4.0 85.0 1.0 86.0 1.6 97.0 1.2 101.0 1.1 112.0 2.3 116.0 32.8 117.0 1.7 118.0 1.6 144.0 100.0 145.0 6.1 146.0 5.0
DMSO-d6
KBr disc
nujol mull
