3,5-DIMETHYLOCTANE(15869-93-9) ¹H NMR

Product Name3,5-DIMETHYLOCTANE

CAS 15869-93-9

Molecular FormulaC10H22

Molecular Weight142.28

InChIInChI=1S/C10H22/c1-5-7-10(4)8-9(3)6-2/h9-10H,5-8H2,1-4H3

InChIKey VRHRGVJOUHJULC-UHFFFAOYSA-N

SmilesCCC(C)CC(C)CCC

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-4573          
3,5-dimethyloctane
C10H22              (Mass of molecular ion:    142)

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

      18.0       2.6
      27.0       7.8
      28.0       1.0
      29.0      15.5
      39.0       5.8
      40.0       1.2
      41.0      22.1
      42.0       6.8
      43.0      67.0
      44.0       2.3
      53.0       1.8
      55.0      12.7
      56.0      13.5
      57.0     100.0
      58.0       4.9
      69.0       5.6
      70.0      19.8
      71.0      51.5
      72.0       3.1
      83.0       1.1
      84.0       4.7
      85.0      11.5
      98.0       4.8
      99.0      10.3
     112.0       1.8
     113.0       8.6
     142.0       1.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₂₂	0.04 ml : 0.5 ml CDCl₃
3,5-dimethyloctane

    Assign.     Shift(ppm)

      A          1.42 to 1.12
      B             0.87
      C     *1      0.85
      D     *1      0.82

     Hz     ppm     Int.

    113.31   1.266    205
    110.06   1.229    245
    109.25   1.220    237
     83.06   0.928    361
     78.13   0.873   1000
     76.13   0.851    955
     72.00   0.804    680
     70.13   0.784    659

in CDCl3