1758-88-9

2-乙基對(duì)二甲苯(1758-88-9)質(zhì)譜(MS)

產(chǎn)品名稱:2-乙基對(duì)二甲苯

CAS:1758-88-9

分子式:C10H14

分子量: 134.22

InChI:InChI=1S/C10H14/c1-4-10-7-8(2)5-6-9(10)3/h5-7H,4H2,1-3H3

InChIKey: AXIUBBVSOWPLDA-UHFFFAOYSA-N

Smiles:C1(C)=CC=C(C)C=C1CC

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-3488          
2-ethyl-p-xylene
C10H14              (Mass of molecular ion:    134)

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

      27.0       2.3
      39.0       3.8
      41.0       3.6
      50.0       1.2
      51.0       3.1
      52.0       1.0
      53.0       1.8
      63.0       1.9
      64.0       1.0
      65.0       3.5
      66.0       1.1
      77.0       6.3
      78.0       2.3
      79.0       3.1
      91.0      12.3
      92.0       1.3
      93.0       1.3
     103.0       3.9
     104.0       2.8
     105.0      11.9
     106.0       2.3
     115.0       4.4
     116.0       1.6
     117.0       6.1
     118.0       2.2
     119.0     100.0
     120.0      10.2
     133.0       3.1
     134.0      33.3
     135.0       3.8

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₄	0.05 ml : 0.5 ml CDCl₃
2-ethyl-p-xylene

    Assign.     Shift(ppm)

      A             6.995
      B             6.949
      C             6.888
      D             2.567
      E     *1      2.281
      F     *1      2.236
      G             1.181

     Hz     ppm     Int.

   2803.22   7.015     73
   2799.56   7.006    157
   2791.75   6.986    183
   2776.86   6.949    183
   2756.71   6.898    118
   2749.15   6.879     83
   2747.92   6.876     75
   1036.99   2.595    110
   1029.42   2.576    301
   1021.85   2.557    302
   1014.28   2.538    111
    911.62   2.282    784
    900.76   2.254     67
    893.68   2.237    764
    887.33   2.221     40
    886.72   2.219     40
    883.30   2.211     43
    479.37   1.200    561
    471.80   1.181   1000
    464.23   1.162    519

¹H NMR	89.56 MHz
C₁₀ H₁₄	0.04 ml : 0.5 ml CDCl₃
2-ethyl-p-xylene

    Assign.     Shift(ppm)

      A          7.18 to 6.76
      B             2.570
      C     *1      2.28
      D     *1      2.245
      E             1.188

     Hz     ppm     Int.

    631.81   7.055     63
    623.63   6.964    347
    622.69   6.953    309
    620.50   6.929    281
    612.69   6.842     40
    611.06   6.823     33
    242.19   2.705     79
    234.63   2.620    265
    227.13   2.537    294
    219.69   2.453    120
    204.31   2.282    880
    201.06   2.245   1000
    113.44   1.267    435
    106.06   1.185    874
     98.38   1.099    332

in CDCl3