1186-53-4

2,2,3,4-TETRAMETHYLPENTANE(1186-53-4) MS

Product Name2,2,3,4-TETRAMETHYLPENTANE

CAS 1186-53-4

Molecular FormulaC9H20

Molecular Weight128.26

InChIInChI=1S/C9H20/c1-7(2)8(3)9(4,5)6/h7-8H,1-6H3

InChIKey VZFMYOCAEQDWDY-UHFFFAOYSA-N

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

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¹HNMR

¹³CNMR

IR1

2,2,3,4-TETRAMETHYLPENTANE(1186-53-4) MS
Mass

MS-NW-4584          
2,2,3,4-tetramethylpentane
C9H20               (Mass of molecular ion:    128)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0       6.1
      28.0       1.0
      29.0      10.2
      39.0       5.6
      41.0      24.1
      42.0       2.8
      43.0      57.1
      44.0       2.0
      53.0       1.6
      55.0       9.2
      56.0      50.2
      57.0     100.0
      58.0       4.7
      69.0       4.6
      70.0      11.3
      71.0      15.1
      84.0       2.3
      85.0      15.3
      86.0       1.0

90 MHz in CDCl3

2,2,3,4-TETRAMETHYLPENTANE(1186-53-4) MS

¹H NMR	89.56 MHz
C₉ H₂₀	0.04 ml : 0.5 ml CDCl₃
2,2,3,4-tetramethylpentane

    Assign.     Shift(ppm)

      A             1.974
      B             1.137
      C     *1      0.882
      D             0.873
      E     *1      0.782
      F             0.745
     
     J(A,C)=J(A,E)=6.90HZ. J(A,B)=1.73HZ. J(B,F)=7.20HZ.
     THE SHIFT VALUES WERE OBTAINED AT 400MHZ.

     Hz     ppm     Int.

     99.56   1.112     21
     82.50   0.922    105
     80.00   0.894     27
     78.25   0.874   1000
     75.63   0.845    108
     73.44   0.821    113
     70.56   0.788     70
     70.06   0.783    107
     66.75   0.746     93
     63.81   0.713     48
     63.19   0.706     56
     61.94   0.692     34

in CDCl3

liquid film

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