5-Iodouracil(696-07-1) 13C NMR
Product Name5-Iodouracil
CAS696-07-1
Molecular FormulaC4H3IN2O2
Molecular Weight237.98
InChIInChI=1S/C4H3IN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChIKey KSNXJLQDQOIRIP-UHFFFAOYSA-N
SmilesC1(=O)NC=C(I)C(=O)N1
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MassMS-NW-5015 5-iodo-2,4(1H,3H)-pyrimidinedione C4H3IN2O2 (Mass of molecular ion: 238)
Source Temperature: 180 °C Sample Temperature: 170 °C Direct, 75 eV
18.0 3.5 26.0 2.3 27.0 13.6 28.0 20.8 29.0 1.0 38.0 4.5 39.0 6.8 40.0 18.2 41.0 3.4 42.0 1.9 43.0 3.7 44.0 5.7 50.0 1.3 51.0 6.4 53.0 3.5 55.0 2.1 65.0 4.7 66.0 1.7 67.0 5.2 68.0 1.8 69.0 1.3 70.0 1.9 94.0 1.5 112.0 1.6 127.0 17.2 128.0 11.1 139.0 3.6 140.0 5.8 152.0 14.9 165.0 1.1 166.0 3.6 167.0 1.7 168.0 24.6 193.0 1.0 195.0 42.4 196.0 2.2 220.0 9.9 238.0 100.0 239.0 5.5 254.0 18.3
DMSO-d6
KBr disc
nujol mull
