6-AZACYTOSINE(931-85-1) 1H NMR
Product Name6-AZACYTOSINE
CAS931-85-1
Molecular FormulaC3H4N4O
Molecular Weight112.09
InChIInChI=1S/C3H4N4O/c4-2-1-5-7-3(8)6-2/h1H,(H3,4,6,7,8)
InChIKey SVXNJCYYMRMXNM-UHFFFAOYSA-N
SmilesN1=CC(N)=NC(=O)N1
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MassMS-NW-7063 5-imino-4,5-dihydro-1,2,4-triazin-3(2H)-one C3H4N4O (Mass of molecular ion: 112)
Source Temperature: 210 °C Sample Temperature: 200 °C Direct, 75 eV
13.0 2.3 14.0 2.5 15.0 1.2 16.0 1.2 17.0 2.2 18.0 9.6 27.0 6.5 28.0 24.5 29.0 7.6 38.0 1.6 39.0 5.0 40.0 10.9 41.0 23.8 42.0 34.1 43.0 16.1 44.0 4.1 53.0 4.1 54.0 1.3 55.0 15.3 56.0 17.6 57.0 1.0 67.0 5.7 68.0 2.2 69.0 15.6 70.0 1.2 84.0 10.9 111.0 3.3 112.0 100.0 113.0 6.3
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C3 H4 N4 O 0.030 g : 0.5 ml DMSO-d6 5-imino-4,5-dihydro-1,2,4-triazin-3(2H)-one 
Assign. Shift(ppm)
A 11.93 B 7.69 C 7.361
Hz ppm Int.1068.02 11.926 64 688.99 7.694 194 659.33 7.362 1000
KBr disc
