Trimethylamine N-oxide(1184-78-7) MS
Product NameTrimethylamine N-oxide
CAS1184-78-7
Molecular FormulaC3H9NO
Molecular Weight75.11
InChIInChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3
InChIKey UYPYRKYUKCHHIB-UHFFFAOYSA-N
SmilesC[N+]([O-])(C)C
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MassMS-NW-4977 trimethylamine N-oxide C3H9NO 2H2O (Mass of molecular ion: 75)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
13.0 1.3 14.0 3.7 15.0 19.6 27.0 5.2 28.0 42.4 29.0 44.4 30.0 39.0 38.0 1.3 39.0 1.8 40.0 5.8 41.0 7.3 42.0 40.9 43.0 19.8 44.0 100.0 45.0 57.5 46.0 1.6 54.0 2.4 56.0 1.6 57.0 4.3 58.0 71.8 59.0 33.7 60.0 1.3 73.0 3.1 81.0 2.4 82.0 3.9
parameter in D2O
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1H NMR 300 MHz C3 H9 N O 0.040 g : 0.5 ml D2O trimethylamine N-oxide 
Parameter ppm Hz
D(A) 3.260
Hz ppm Int.978.00 3.260 1000
in D2O
KBr disc
nujol mull
