Product NameIsocytosine
CAS108-53-2
Molecular FormulaC4H5N3O
Molecular Weight111.1
InChIInChI=1S/C4H5N3O/c5-4-6-2-1-3(8)7-4/h1-2H,(H3,5,6,7,8)
InChIKey XQCZBXHVTFVIFE-UHFFFAOYSA-N
SmilesC1(N)NC=CC(=O)N=1
Mass
MS-NW-6938 2-amino-4-pyrimidinol C4H5N3O (Mass of molecular ion: 111)
Source Temperature: 200 °C Sample Temperature: 170 °C Direct, 75 eV
14.0 1.0 18.0 3.8 26.0 1.6 27.0 2.6 28.0 12.6 29.0 2.1 38.0 2.2 39.0 3.6 40.0 11.8 41.0 8.5 42.0 15.7 43.0 38.7 44.0 2.3 51.0 1.0 52.0 1.6 53.0 2.9 55.0 2.2 56.0 4.2 66.0 1.8 67.0 6.1 68.0 7.0 69.0 10.1 70.0 33.7 71.0 1.4 82.0 1.1 83.0 20.6 84.0 2.2 94.0 2.5 95.0 3.2 111.0 100.0 112.0 6.0
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C4 H5 N3 O | 0.038 g : 0.5 ml DMSO-d6 |
2-amino-4-pyrimidinol |
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Assign. Shift(ppm) |
Hz ppm Int.
3015.29 7.545 905 3008.69 7.529 917 3004.11 7.517 23 2731.38 6.835 36 2215.40 5.544 1000 2208.80 5.527 991
in DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
Isocytosine(108-53-2) IR1 Atlas of Related Products
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