4-ETHYL-M-XYLENE(874-41-9) ¹³C NMR

Product Name4-ETHYL-M-XYLENE

CAS 874-41-9

Molecular FormulaC10H14

Molecular Weight134.22

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

InChIKey MEMBJMDZWKVOTB-UHFFFAOYSA-N

SmilesC1(CC)=CC=C(C)C=C1C

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Mass

MS-NW-3637          
4-ethyl-m-xylene
C10H14              (Mass of molecular ion:    134)

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

      27.0       2.4
      39.0       4.6
      41.0       4.3
      50.0       1.1
      51.0       3.6
      52.0       1.0
      53.0       1.8
      63.0       2.0
      64.0       1.0
      65.0       3.7
      66.0       1.2
      77.0       5.9
      78.0       2.1
      79.0       2.6
      91.0      11.1
      92.0       1.0
      93.0       1.3
     103.0       3.3
     104.0       2.5
     105.0       4.8
     115.0       3.7
     116.0       1.3
     117.0       5.2
     118.0       1.9
     119.0     100.0
     120.0       9.8
     133.0       1.8
     134.0      29.7
     135.0       3.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₄	0.04 ml : 0.5 ml CDCl₃
4-ethyl-m-xylene

    Assign.     Shift(ppm)

      A             7.02
      B             6.96
      C             6.95
      D             2.573
      E     *1      2.27
      F     *1      2.26
      G             1.182

     Hz     ppm     Int.

    634.94   7.090     43
    626.63   6.997    257
    623.19   6.959    301
    616.63   6.886     33
    242.44   2.708     49
    234.81   2.622    167
    227.25   2.538    187
    219.94   2.456     72
    202.38   2.260   1000
    113.06   1.263    348
    105.75   1.181    757
    105.31   1.176    525
     98.00   1.095    263

in CDCl3