Trifluorothymine(54-20-6) 1H NMR
Product NameTrifluorothymine
CAS54-20-6
Molecular FormulaC5H3F3N2O2
Molecular Weight180.08
InChIInChI=1S/C5H3F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1H,(H2,9,10,11,12)
InChIKey LMNPKIOZMGYQIU-UHFFFAOYSA-N
SmilesC1(=O)NC=C(C(F)(F)F)C(=O)N1
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MassMS-IW-0190 5-(trifluoromethyl)uracil C5H3F3N2O2 (Mass of molecular ion: 180)
Source Temperature: 200 °C Sample Temperature: 160 °C Direct, 75 eV
17.0 1.0 18.0 5.5 20.0 1.2 28.0 64.6 29.0 1.5 31.0 3.6 39.0 1.2 40.0 1.5 43.0 3.1 44.0 4.9 46.0 1.7 58.0 2.6 69.0 5.4 70.0 6.4 71.0 2.9 74.0 1.5 75.0 2.1 81.0 3.2 82.0 5.7 88.0 1.2 89.0 2.4 90.0 9.2 91.0 11.5 108.0 5.0 109.0 10.5 110.0 27.6 116.0 1.6 118.0 8.5 136.0 5.2 137.0 48.6 138.0 5.9 161.0 3.9 180.0 100.0 181.0 8.2
KBr disc
nujol mull
