Product Name5-Bromouracil
CAS51-20-7
Molecular FormulaC4H3BrN2O2
Molecular Weight190.98
InChIInChI=1S/C4H3BrN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChIKey LQLQRFGHAALLLE-UHFFFAOYSA-N
SmilesC1(=O)NC=C(Br)C(=O)N1
Mass
MS-NW-5403 5-bromo-2,4(1H,3H)-pyrimidinedione C4H3BrN2O2 (Mass of molecular ion: 190)
Source Temperature: 160 °C Sample Temperature: 110 °C Direct, 75 eV
12.0 1.4 13.0 1.3 18.0 3.5 25.0 3.4 26.0 1.7 27.0 5.0 28.0 59.3 29.0 2.7 38.0 9.6 39.0 15.1 40.0 34.7 41.0 7.0 42.0 3.0 43.0 6.4 44.0 6.0 51.0 2.0 52.0 1.3 53.0 8.1 54.0 1.9 55.0 3.5 67.0 5.1 68.0 4.1 69.0 1.9 70.0 5.5 79.0 3.4 80.0 2.2 81.0 3.2 82.0 2.6 91.0 7.3 92.0 11.0 93.0 7.4 94.0 11.1 104.0 7.3 106.0 7.7 111.0 2.5 112.0 2.6 117.0 1.1 118.0 6.4 119.0 3.2 120.0 61.2 121.0 3.3 122.0 54.8 123.0 1.4 146.0 1.2 147.0 87.9 148.0 6.3 149.0 85.1 150.0 5.2 190.0 100.0 191.0 5.7 192.0 97.7 193.0 5.7
parameter in DMSO-d6
1H NMR | 300 MHz |
C4 H3 Br N2 O2 | 12 % in DMSO-d6 |
5-bromo-2,4(1H,3H)-pyrimidinedione |
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Parameter ppm Hz |
Hz ppm Int.
3434.99 11.450 1000 3366.00 11.220 501 3360.03 11.200 506 2351.97 7.840 506 2346.04 7.820 501
in DMSO-d6
KBr disc
nujol mull
5-Bromouracil(51-20-7) 1H NMR Atlas of Related Products
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