622-96-8

对-甲乙苯(622-96-8)核磁图(¹HNMR)

产品名称:对-甲乙苯

CAS:622-96-8

分子式:C9H12

分子量: 120.19

InChI:InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3

InChIKey: JRLPEMVDPFPYPJ-UHFFFAOYSA-N

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

Mass

MS-NW-3453          
p-ethyltoluene
C9H12               (Mass of molecular ion:    120)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       2.4
      39.0       4.8
      41.0       1.5
      50.0       1.8
      51.0       4.1
      52.0       1.3
      53.0       1.6
      58.0       1.1
      59.0       1.4
      62.0       1.1
      63.0       2.8
      65.0       4.0
      77.0       8.6
      78.0       3.1
      79.0       5.7
      89.0       1.3
      91.0       8.8
      92.0       1.8
     102.0       1.0
     103.0       5.6
     104.0       2.8
     105.0     100.0
     106.0       9.0
     115.0       2.1
     117.0       2.3
     119.0       3.3
     120.0      28.7
     121.0       3.0

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₂	0.04 ml : 0.5 ml CDCl₃
p-ethyltoluene

    Assign.     Shift(ppm)

      A             7.08
      B             2.59
      C             2.303
      D             1.215

     Hz     ppm     Int.

    633.69   7.076   1000
    244.38   2.729     37
    236.69   2.643    126
    229.13   2.559    142
    221.69   2.476     55
    206.25   2.303    638
    115.81   1.294    193
    108.38   1.211    362
    100.69   1.125    149

¹H NMR	399.65 MHz
C₉ H₁₂	20.5 mg : 0.5 ml CDCl₃
p-ethyltoluene

    Assign.     Shift(ppm)

      A          7.22 to 6.960
      B             2.606
      C             2.313
      D             1.216

     Hz     ppm     Int.

   2834.23   7.092   1000
   1052.86   2.635     47
   1045.29   2.616    137
   1037.72   2.597    139
   1030.15   2.578     49
    924.56   2.314    578
    493.65   1.236    246
    486.08   1.217    485
    478.39   1.198    233

in CDCl3