CREATININE ZINC CHLORIDE(62708-52-5) IR1
Product NameCREATININE ZINC CHLORIDE
CAS62708-52-5
Molecular FormulaC8H14Cl2N6O2Zn
Molecular Weight362.53
InChIInChI=1S/C4H7N3O.2ClH.Zn/c1-7-2-3(8)6-4(7)5;;;/h2H2,1H3,(H2,5,6,8);2*1H;/q;;;+2/p-2
InChIKey FSTJUYRQYIWLSX-UHFFFAOYSA-L
Smiles[Zn+2].N1C(=O)CN(C)C1=N.[Cl-].[Cl-]
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MassMS-NW-9234 creatinine zinc chloride C4H7N3O 1/2Cl2Zn (Mass of molecular ion: 113)
Source Temperature: 230 °C Sample Temperature: 280 °C Direct, 75 eV
14.0 2.4 15.0 12.9 16.0 5.8 17.0 21.3 18.0 85.4 26.0 1.0 27.0 7.9 28.0 22.9 29.0 3.2 30.0 27.3 31.0 4.9 32.0 1.0 35.0 6.9 36.0 77.0 37.0 2.3 38.0 25.0 39.0 1.6 40.0 5.0 41.0 12.7 42.0 95.5 43.0 100.0 44.0 33.6 45.0 1.4 53.0 1.7 55.0 4.5 56.0 5.8 57.0 3.3 58.0 3.7 68.0 1.0 69.0 10.1 70.0 4.2 71.0 2.3 72.0 3.9 73.0 2.1 84.0 40.0 85.0 8.6 86.0 1.6 98.0 2.5 112.0 52.5 113.0 73.3 114.0 6.9 134.0 1.2 136.0 1.4 138.0 1.0
parameter in CDCl3
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1H NMR 300 MHz C4 H7 N3 O 0.035 g : 0.5 ml DMSO-d6 creatinine zinc chloride 
Parameter ppm Hz
D(A) 7.88 D(B) 7.88 D(C) 3.887 D(D) 2.981
Hz ppm Int.2363.99 7.880 64 1166.08 3.887 667 894.30 2.981 1000
KBr disc
nujol mull
