1,1-DIMETHYLGUANIDINE SULFATE(598-65-2) MS
Product Name1,1-DIMETHYLGUANIDINE SULFATE
CAS598-65-2
Molecular FormulaC3H11N3O4S
Molecular Weight185.2
InChIInChI=1S/C3H9N3.H2O4S/c1-6(2)3(4)5;1-5(2,3)4/h1-2H3,(H3,4,5);(H2,1,2,3,4)
InChIKey ACPFLXJEPKOPGF-UHFFFAOYSA-N
SmilesC(N)(=N)N(C)C.S(O)(O)(=O)=O
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MassMS-NW-7929 1,1-dimethylguanidine sulfate C3H9N3 1/2H2O4S (Mass of molecular ion: 87)
Source Temperature: 210 °C Sample Temperature: 220 °C Direct, 75 eV
12.0 1.0 13.0 3.3 14.0 1.9 15.0 7.8 16.0 8.1 17.0 12.0 18.0 19.0 21.0 1.1 26.0 1.3 27.0 4.3 28.0 27.3 29.0 2.1 30.0 6.4 39.0 1.4 40.0 3.7 41.0 7.3 42.0 52.1 43.0 21.5 44.0 100.0 45.0 46.5 46.0 1.3 48.0 3.9 55.0 1.0 58.0 3.1 60.0 1.4 64.0 5.5 69.0 1.9 70.0 1.4 71.0 1.3 72.0 3.3 80.0 4.7 87.0 7.9 125.0 1.0 126.0 1.8 155.0 1.1
parameter in D2O
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1H NMR 300 MHz C3 H9 N3 0.047 g : 0.5 ml D2O 1,1-dimethylguanidine sulfate 
Parameter ppm Hz
D(A) 4.84 D(B) 3.045
Hz ppm Int.1452.00 4.840 54 913.49 3.045 1000
D2O
KBr disc
nujol mull
