SULFUR TRIOXIDE TRIMETHYLAMINE COMPLEX(3162-58-1) MS
Product NameSULFUR TRIOXIDE TRIMETHYLAMINE COMPLEX
CAS3162-58-1
Molecular FormulaC3H9NO3S
Molecular Weight139.17
InChIInChI=1S/C3H9N.O3S/c2*1-4(2)3/h1-3H3;
InChIKey DXASQZJWWGZNSF-UHFFFAOYSA-N
SmilesN(C)(C)C.S(=O)(=O)=O
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MassMS-NW-9972 sulfur trioxide trimethylamine complex C3H9N O3S (Mass of molecular ion: 139)
Source Temperature: 160 °C Sample Temperature: 130 °C Direct, 75 eV
14.0 1.1 15.0 17.7 17.0 1.0 18.0 5.6 27.0 2.2 28.0 10.4 29.0 4.5 30.0 25.5 32.0 1.0 40.0 2.4 41.0 3.8 42.0 26.3 43.0 6.5 44.0 3.0 48.0 5.8 56.0 2.3 57.0 4.4 58.0 100.0 59.0 70.2 60.0 2.7 64.0 10.7 80.0 6.7 139.0 14.8 140.0 1.5
400 MHz in DMSO-d6
400 MHz in D2O
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1H NMR 399.65 MHz C3 H9 N 0.041 g : 0.5 ml DMSO-d6 sulfur trioxide trimethylamine complex 
Assign. Shift(ppm)
A 3.068
Hz ppm Int.1226.32 3.069 1000
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1H NMR 399.65 MHz C3 H9 N saturated in D2O sulfur trioxide trimethylamine complex Assign. Shift(ppm)
A 3.228
Hz ppm Int.1290.16 3.229 1000
in D2O
in DMSO-d6
KBr disc
nujol mull
