2049-94-7

异戊基苯(2049-94-7)质谱(MS)

产品名称:异戊基苯

CAS:2049-94-7

分子式:C11H16

分子量: 148.24

InChI:InChI=1S/C11H16/c1-10(2)8-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

InChIKey: XNXIYYFOYIUJIW-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-1348          
isopentylbenzene
C11H16              (Mass of molecular ion:    148)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       2.2
      29.0       4.4
      39.0       3.5
      41.0       8.7
      43.0       2.2
      51.0       2.8
      55.0       1.7
      57.0      10.0
      63.0       1.4
      65.0       7.8
      77.0       4.3
      78.0       2.7
      79.0       3.1
      89.0       1.3
      91.0      60.3
      92.0     100.0
      93.0       8.0
     103.0       2.2
     104.0       1.4
     105.0       9.6
     106.0       1.0
     115.0       1.0
     148.0      24.1
     149.0       2.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₁₆	0.05 ml : 0.5 ml CDCl₃
isopentylbenzene

    Assign.     Shift(ppm)

      A          7.18 to 7.16
      B             2.588
      C          1.55 to 1.45
      D             0.929

     Hz     ppm     Int.

    643.13   7.181    894
    641.94   7.168    839
    240.31   2.684    116
    232.88   2.601    141
    225.00   2.513    147
    142.50   1.592    147
    142.38   1.590    147
    139.88   1.562    128
    139.25   1.555    130
    136.13   1.520    179
    135.44   1.513    183
    129.13   1.442    175
    104.19   1.164     30
     97.00   1.084     30
     93.13   1.040     44
     85.75   0.958   1000
     82.69   0.924    269
     80.25   0.897    829

in CDCl3