540-84-1

2,2,4-Trimethylpentane(540-84-1) MS

Product Name2,2,4-Trimethylpentane

CAS 540-84-1

Molecular FormulaC8H18

Molecular Weight114.23

InChIInChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3

InChIKey NHTMVDHEPJAVLT-UHFFFAOYSA-N

SmilesCC(C)(C)CC(C)C

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2,2,4-Trimethylpentane(540-84-1) MS
Mass

MS2016-05310CW      
2,2,4-trimethylpentane
C8H18               (Mass of molecular ion:    114)

   Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Reservoir, 70 eV

      27.0       6.5
      29.0      11.7
      39.0       7.7
      40.0       1.8
      41.0      33.7
      42.0       2.1
      43.0      27.2
      44.0       1.1
      53.0       1.6
      55.0       5.5
      56.0      46.6
      57.0     100.0
      58.0       7.0
      71.0       1.6
      83.0       1.4
      99.0      10.4

in CDCl3

90 MHz in CDCl3

2,2,4-Trimethylpentane(540-84-1) MS

¹H NMR	89.56 MHz
C₈ H₁₈	0.04 ml : 0.5 ml CDCl₃
2,2,4-trimethylpentane

    Assign.     Shift(ppm)

      A             1.659
      B             1.122
      C             0.907
      D             0.891
     
     J(A,C) = 6.6 HZ.
     J(A,B) = 5.4 HZ.

     Hz     ppm     Int.

    103.00   1.151     92
     97.75   1.092     71
     84.31   0.942    268
     81.94   0.915     32
     79.94   0.893   1000
     77.94   0.871    235

in CDCl3