6-Aminouracil (873-83-6) IR2
Product Name6-Aminouracil
CAS873-83-6
Molecular FormulaC4H5N3O2
Molecular Weight127.1
InChIInChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H4,5,6,7,8,9)
InChIKey LNDZXOWGUAIUBG-UHFFFAOYSA-N
SmilesC1(=O)NC(N)=CC(=O)N1
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MassMS-NW-5026 6-aminouracil C4H5N3O2 (Mass of molecular ion: 127)
Source Temperature: 190 °C Sample Temperature: 260 °C Direct, 75 eV
12.0 1.4 13.0 1.1 14.0 2.0 16.0 1.6 17.0 2.9 18.0 10.2 26.0 5.1 27.0 31.1 28.0 42.9 29.0 5.8 38.0 4.6 39.0 9.0 40.0 14.2 41.0 20.4 42.0 22.2 43.0 44.4 44.0 6.7 53.0 1.7 55.0 5.1 56.0 4.3 66.0 7.6 67.0 8.2 68.0 36.7 69.0 2.5 70.0 1.5 71.0 1.0 84.0 24.8 85.0 5.3 99.0 12.6 100.0 2.0 111.0 1.3 127.0 100.0 128.0 6.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C4 H5 N3 O2 0.038 g : 0.5 ml DMSO-d6 6-aminouracil 
Assign. Shift(ppm)
A 9.9 B 6.16 C 4.426
Hz ppm Int.3962.25 9.915 33 2460.94 6.158 351 1769.10 4.427 1000
in DMSO-d6
KBr disc
nujol mull
