1,1-DIETHYLGUANIDINE SULFATE(77297-00-8) MS
Product Name1,1-DIETHYLGUANIDINE SULFATE
CAS77297-00-8
Molecular FormulaC10H28N6O4S
Molecular Weight328.43
InChIInChI=1S/2C5H13N3.H2O4S/c2*1-3-8(4-2)5(6)7;1-5(2,3)4/h2*3-4H2,1-2H3,(H3,6,7);(H2,1,2,3,4)
InChIKey VZAFCEFGYOMBML-UHFFFAOYSA-N
SmilesS(=O)(=O)(O)O.N(C(=N)N)(CC)CC.N(CC)(CC)C(=N)N
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MassMS-IW-1765 1,1-diethylguanidine sulfate C5H13N3 1/2H2O4S (Mass of molecular ion: 115)
Source Temperature: 190 °C Sample Temperature: 240 °C Direct, 75 eV
15.0 3.4 16.0 3.8 17.0 4.7 18.0 7.2 26.0 2.8 27.0 14.9 28.0 17.7 29.0 16.3 30.0 69.4 31.0 1.9 40.0 2.1 41.0 5.8 42.0 30.5 43.0 42.3 44.0 94.5 45.0 3.5 54.0 1.0 55.0 10.3 56.0 9.1 57.0 2.9 58.0 100.0 59.0 5.0 60.0 2.7 64.0 1.0 69.0 4.1 70.0 2.6 71.0 3.8 72.0 73.7 73.0 31.2 74.0 1.7 83.0 3.6 86.0 51.3 87.0 8.4 98.0 3.8 115.0 39.1 116.0 3.1
400 MHz in D2O
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1H NMR 399.65 MHz C5 H13 N3 0.041 g : 0.5 ml D2O 1,1-diethylguanidine sulfate 
Assign. Shift(ppm)
A 3.382 B 1.210 SOLVENT PEAK REMOVED
Hz ppm Int.1362.43 3.410 138 1355.22 3.392 445 1348.02 3.374 447 1340.82 3.355 143 490.97 1.229 487 483.76 1.211 1000 476.44 1.193 461 472.17 1.182 22
in D2O
KBr disc
nujol mull
