2,3,4-TRIMETHYLPENTANE(565-75-3) IR1

Product Name2,3,4-TRIMETHYLPENTANE

CAS 565-75-3

Molecular FormulaC8H18

Molecular Weight114.23

InChIInChI=1S/C8H18/c1-6(2)8(5)7(3)4/h6-8H,1-5H3

InChIKey RLPGDEORIPLBNF-UHFFFAOYSA-N

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

Request For Quotation

2,3,4-TRIMETHYLPENTANE(565-75-3) IR1
Mass

MS-NW-1359          
2,3,4-trimethylpentane
C8H18               (Mass of molecular ion:    114)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.0
      18.0       1.4
      27.0       8.9
      28.0       2.5
      29.0       8.3
      39.0       6.1
      41.0      17.3
      42.0       7.1
      43.0     100.0
      44.0       3.5
      53.0       1.5
      55.0      15.3
      56.0       1.7
      57.0      17.3
      58.0       1.1
      69.0       1.1
      70.0      42.4
      71.0      65.6
      72.0       3.7

90 MHz in CDCl3

2,3,4-TRIMETHYLPENTANE(565-75-3) IR1

¹H NMR	89.56 MHz
C₈ H₁₈	0.04 ml : 0.5 ml CDCl₃
2,3,4-trimethylpentane

    Assign.     Shift(ppm)

      A             1.639
      B             0.97
      C     *1      0.882
      D     *1      0.798
      E             0.737
     
     J(A,C)=6.7 HZ.
     J(A,D)=6.7 HZ.
     J(B,E)=6.8 HZ.

     Hz     ppm     Int.

    157.88   1.763     24
    157.00   1.754     30
    151.25   1.689     55
    150.31   1.679     48
    145.31   1.623     47
    144.50   1.614     69
    137.94   1.541     54
    131.44   1.468     32
     90.25   1.008     30
     89.31   0.998     35
     82.13   0.918    808
     78.06   0.872     73
     74.63   0.834   1000
     71.25   0.796     59
     68.19   0.762    946
     63.19   0.706    137
     62.69   0.700    131
     62.00   0.693    129
     60.38   0.675     63
     59.25   0.662     26

in CDCl3