Trimethylacetonitrile(630-18-2) Raman
Product NameTrimethylacetonitrile
CAS630-18-2
Molecular FormulaC5H9N
Molecular Weight83.13
InChIInChI=1S/C5H9N/c1-5(2,3)4-6/h1-3H3
InChIKey JAMNHZBIQDNHMM-UHFFFAOYSA-N
SmilesC(#N)C(C)(C)C
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MassMS-NW-6396 pivalonitrile C5H9N (Mass of molecular ion: 83)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 4.8 18.0 2.3 26.0 2.3 27.0 10.4 28.0 3.4 29.0 3.1 37.0 2.2 38.0 2.8 39.0 14.2 40.0 5.5 41.0 80.0 42.0 100.0 43.0 3.2 51.0 2.0 52.0 5.0 53.0 1.2 54.0 1.4 55.0 2.3 57.0 1.2 64.0 1.5 66.0 3.7 67.0 15.5 68.0 48.5 69.0 2.6 82.0 4.4
parameter in CCl4
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1H NMR 300 MHz C5 H9 N in CCl4 pivalonitrile 
Parameter ppm Hz
D(A) 1.44 KUNTZ,I.D. ET AL. J.CHEM.PHYS. 35, 1533 (1961)
Hz ppm Int.432.00 1.440 1000
in CDCl3
liquid film
4880 A,200 M,liquid
