Methyl gag dihydrochloride(24968-67-0) MS
Product NameMethyl gag dihydrochloride
CAS24968-67-0
Molecular FormulaC5H16Cl2N8O
Molecular Weight275.14
InChIInChI=1S/C5H12N8.2ClH.H2O/c1-3(11-13-5(8)9)2-10-12-4(6)7;;;/h2H,1H3,(H4,6,7,12)(H4,8,9,13);2*1H;1H2/b10-2+,11-3+;;;
InChIKey ZZRLHFZFFIHTLN-XDKKVRIUSA-N
SmilesC(/C)(\C=N\NC(=N)N)=N/NC(=N)N.O.Cl.Cl
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MassMS-NW-7867 pyruvaldehyde bis(amidinohydrazone) dihydrochloride C5H12N8 2HCl H2O (Mass of molecular ion: 184)
Source Temperature: 20 °C Sample Temperature: 20 °C Reservoir, 75 eV
15.0 1.5 16.0 2.9 17.0 7.5 18.0 13.3 26.0 1.6 27.0 5.3 28.0 23.8 29.0 4.0 30.0 2.9 31.0 13.2 32.0 40.9 35.0 12.3 36.0 86.0 37.0 4.0 38.0 27.8 39.0 13.0 40.0 6.1 41.0 4.8 42.0 14.7 43.0 100.0 44.0 13.5 45.0 1.7 52.0 1.8 53.0 1.9 54.0 4.0 55.0 2.9 57.0 12.6 58.0 12.0 59.0 3.3 60.0 9.1 73.0 1.0 74.0 42.2 75.0 1.7 82.0 7.1 84.0 5.1 85.0 2.5 99.0 7.6 110.0 30.8 111.0 3.5 125.0 1.7 126.0 18.5 127.0 1.2 184.0 7.4
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C5 H12 N8 0.040 g : 0.5 ml DMSO-d6 pyruvaldehyde bis(amidinohydrazone) dihydrochloride 
Assign. Shift(ppm)
A 7.852 B 2.231
Hz ppm Int.3223.00 8.065 212 3166.77 7.924 52 3138.37 7.853 459 892.02 2.233 1000
in D2O
in DMSO-d6
KBr disc
nujol mull
