3710-23-4

2-异丙苯基萘(3710-23-4)红外图谱(IR1)

产品名称:2-异丙苯基萘

CAS:3710-23-4

分子式:C13H12

分子量: 168.23

InChI:InChI=1S/C13H12/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h3-9H,1H2,2H3

InChIKey: ANCUXNXTHQXICN-UHFFFAOYSA-N

Smiles:C1=C2C(C=CC=C2)=CC=C1C(C)=C

Mass

MS-IW-2138          
2-isopropenylnaphthalene
C13H12              (Mass of molecular ion:    168)

   Source Temperature: 230 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      39.0       1.6
      50.0       1.2
      51.0       2.1
      57.5       1.2
      62.0       1.0
      63.0       3.6
      69.5       1.8
      71.0       1.1
      74.0       1.7
      75.0       2.7
      75.5       1.0
      76.0       5.5
      76.5       1.1
      77.0       2.9
      81.5       1.2
      82.0       3.9
      82.5       4.3
      83.0       6.8
      83.5       1.2
      84.0       3.2
      87.0       1.2
      89.0       1.0
     101.0       1.7
     102.0       1.4
     115.0       4.2
     126.0       3.8
     127.0       6.3
     128.0      23.5
     129.0       2.7
     139.0       2.7
     141.0       3.4
     150.0       2.3
     151.0       7.7
     152.0      30.1
     153.0      42.2
     154.0       5.3
     163.0       1.8
     164.0       1.8
     165.0      11.7
     166.0       3.8
     167.0      20.4
     168.0     100.0
     169.0      14.1
     170.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₂	0.049 g : 0.5 ml CDCl₃
2-isopropenylnaphthalene

    Assign.     Shift(ppm)

      A             7.827
      B             7.79
      C             7.77
      D             7.745
      E             7.644
      F             7.43
      G             7.41
      J             5.515
      K             5.173
      L             2.240
     
     ASSIGNED BY C-H COSY.
     J(J,L)=-0.7HZ
     J(K,L)=-1.5HZ

     Hz     ppm     Int.

   3128.54   7.829    271
   3127.44   7.826    275
   3119.14   7.805    130
   3116.82   7.799    135
   3112.06   7.787    113
   3109.38   7.781    239
   3106.57   7.774    102
   3101.93   7.762    162
   3099.49   7.756    330
   3090.70   7.734    290
   3059.33   7.656    237
   3057.50   7.651    224
   3050.78   7.634    162
   3048.95   7.630    153
   2970.58   7.433    189
   2968.75   7.429    176
   2967.04   7.425    209
   2963.99   7.417    390
   2961.06   7.410    185
   2959.35   7.405    178
   2957.64   7.401    174
   2204.47   5.517    322
   2203.98   5.515    322
   2068.97   5.177    229
   2067.50   5.174    315
   2066.16   5.170    221
    896.61   2.244    820
    895.87   2.242    975
    895.26   2.241   1000
    894.53   2.239    884

in CDCl3