6-Methyluracil(626-48-2) MS
Product Name6-Methyluracil
CAS626-48-2
Molecular FormulaC5H6N2O2
Molecular Weight126.11
InChIInChI=1S/C5H6N2O2/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)
InChIKey SHVCSCWHWMSGTE-UHFFFAOYSA-N
SmilesC1(=O)NC(C)=CC(=O)N1
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MassMS-NW-0622 6-methyluracil C5H6N2O2 (Mass of molecular ion: 126)
Source Temperature: 220 °C Sample Temperature: 150 °C Direct, 75 eV
15.0 3.3 18.0 4.0 26.0 3.4 27.0 7.9 28.0 8.6 37.0 1.5 38.0 3.0 39.0 6.9 40.0 7.3 41.0 5.9 42.0 85.2 43.0 3.4 44.0 2.4 49.0 1.3 51.0 1.6 52.0 4.1 53.0 1.4 54.0 6.3 55.0 4.5 67.0 1.4 68.0 48.3 69.0 2.1 70.0 1.9 83.0 41.7 84.0 4.2 97.0 1.5 126.0 100.0 127.0 6.3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C5 H6 N2 O2 0.038 g : 0.5 ml DMSO-d6 6-methyluracil 
Assign. Shift(ppm)
A *1 10.9 B *1 10.8 C 5.333 D 2.023
Hz ppm Int.4350.57 10.886 88 4327.49 10.829 93 2131.33 5.333 219 809.23 2.025 1000 808.31 2.023 981
KBr disc
nujol mull
TI(III) COMPLEX IN C6H6/C6H5(CH3), 77K
