630-18-2

Trimethylacetonitrile(630-18-2) MS

Product NameTrimethylacetonitrile

CAS 630-18-2

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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Trimethylacetonitrile(630-18-2) MS
Mass

MS-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

Trimethylacetonitrile(630-18-2) MS

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

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