3522-94-9

2,2,5-TRIMETHYLHEXANE(3522-94-9) MS

Product Name2,2,5-TRIMETHYLHEXANE

CAS 3522-94-9

Molecular FormulaC9H20

Molecular Weight128.26

InChIInChI=1S/C9H20/c1-8(2)6-7-9(3,4)5/h8H,6-7H2,1-5H3

InChIKey HHOSMYBYIHNXNO-UHFFFAOYSA-N

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

Request For Quotation

¹HNMR

¹³CNMR

IR1

2,2,5-TRIMETHYLHEXANE(3522-94-9) MS
Mass

MS-NW-2946          
2,2,5-trimethylhexane
C9H20               (Mass of molecular ion:    128)

   Source Temperature: 270 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0       3.9
      28.0       1.7
      29.0       8.4
      39.0       3.5
      41.0      17.7
      42.0       1.3
      43.0      15.2
      55.0       3.6
      56.0      33.7
      57.0     100.0
      58.0       4.4
      69.0       1.1
      70.0       3.5
      71.0      18.0
      72.0       1.0
     113.0       4.5

90 MHz in CDCl3

2,2,5-TRIMETHYLHEXANE(3522-94-9) MS

¹H NMR	89.56 MHz
C₉ H₂₀	0.04 ml : 0.5 ml CDCl₃
2,2,5-trimethylhexane

    Assign.     Shift(ppm)

      A             1.44
      B             1.14
      C             1.14
      D             0.88
      E             0.862
     
     THE SHIFT VALUES WERE OBTAINED AT 400MHZ.
     J(A,D)=6.6HZ

     Hz     ppm     Int.

    103.50   1.156    225
    100.06   1.118     63
     81.19   0.907    213
     79.25   0.885     30
     77.19   0.862   1000
     75.25   0.841    181

in CDCl3