N-2-Acetylguanine(19962-37-9) 1H NMR
Product NameN-2-Acetylguanine
CAS19962-37-9
Molecular FormulaC7H7N5O2
Molecular Weight193.16
InChIInChI=1S/C7H7N5O2/c1-3(13)10-7-11-5-4(6(14)12-7)8-2-9-5/h2H,1H3,(H3,8,9,10,11,12,13,14)
InChIKey MXSMRDDXWJSGMC-UHFFFAOYSA-N
SmilesC(NC1NC(=O)C2=C(N=1)NC=N2)(=O)C
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MassMS-IW-4833 N(2)-acetylguanine C7H7N5O2 (Mass of molecular ion: 193)
Source Temperature: 170 °C Sample Temperature: 160 °C Direct, 75 eV
15.0 2.0 27.0 1.4 28.0 7.2 42.0 3.0 43.0 31.5 44.0 1.8 53.0 6.4 54.0 5.6 55.0 2.1 68.0 1.3 69.0 3.3 79.0 1.0 81.0 3.2 82.0 1.9 108.0 3.9 109.0 35.9 110.0 27.2 111.0 1.5 123.0 1.2 124.0 1.0 134.0 10.9 135.0 4.6 150.0 2.1 151.0 100.0 152.0 7.6 177.0 1.1 178.0 1.7 193.0 33.6 194.0 3.9
400MHZ in DMSO-d6
KBr disc
nujol mull
