17302-01-1

3-乙基-3-甲基庚烷(17302-01-1)核磁图(¹HNMR)

产品名称:3-乙基-3-甲基庚烷

CAS:17302-01-1

分子式:C10H22

分子量: 142.28

InChI:InChI=1S/C10H22/c1-5-8-9-10(4,6-2)7-3/h5-9H2,1-4H3

InChIKey: HSOMNBKXPGCNBH-UHFFFAOYSA-N

Smiles:CCC(CC)(C)CCCC

Mass

MS-NW-8698          
3-ethyl-3-methylheptane
C10H22              (Mass of molecular ion:    142)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       8.2
      28.0       1.3
      29.0      15.7
      39.0       5.6
      41.0      27.2
      42.0       2.9
      43.0      96.5
      44.0       3.2
      53.0       2.2
      55.0      13.6
      56.0       3.1
      57.0     100.0
      58.0       4.4
      69.0       7.5
      70.0       7.0
      71.0      78.9
      72.0       4.3
      83.0       2.8
      84.0      15.2
      85.0      57.3
      86.0       3.8
     112.0       7.1
     113.0      24.5
     114.0       2.1
     127.0       1.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₂₂	0.04 ml : 0.5 ml CDCl₃
3-ethyl-3-methylheptane

    Assign.     Shift(ppm)

      A             1.27
      B             1.197
      C             1.14
      D             0.898
      E             0.758
      F             0.754

     Hz     ppm     Int.

    513.92   1.286     35
    509.89   1.276     64
    506.59   1.268     51
    505.74   1.266     48
    503.17   1.260     67
    502.69   1.258     68
    501.71   1.256     42
    499.63   1.251     38
    497.31   1.245     34
    495.97   1.242     50
    490.11   1.227    141
    482.42   1.208    427
    474.85   1.189    474
    467.53   1.170    196
    463.87   1.161     45
    462.40   1.158     69
    460.82   1.154     87
    457.28   1.145    212
    455.81   1.141    323
    452.39   1.132    272
    365.97   0.916    283
    358.89   0.899    521
    351.44   0.880    241
    310.67   0.778    533
    303.22   0.759   1000
    301.27   0.754    883
    295.53   0.740    406

in CDCl3