829-26-5

2,3,6-三甲基萘(829-26-5)核磁图(¹³CNMR)

产品名称:2,3,6-三甲基萘

CAS:829-26-5

分子式:C13H14

分子量: 170.25

InChI:InChI=1S/C13H14/c1-9-4-5-12-7-10(2)11(3)8-13(12)6-9/h4-8H,1-3H3

InChIKey: UNBZRJCHIWTUHB-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

Mass

MS-NW-6143          
2,3,6-trimethylnaphthalene
C13H14              (Mass of molecular ion:    170)

   Source Temperature: 250 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      39.0       1.6
      51.0       2.4
      57.5       1.1
      63.0       2.7
      64.0       2.1
      69.5       1.1
      70.0       1.1
      70.5       1.2
      71.0       1.8
      75.0       1.1
      76.0       3.5
      76.5       1.1
      77.0       3.5
      77.5       1.1
      82.0       1.8
      82.5       1.7
      83.0       2.2
      84.0       3.4
      85.0       3.1
     115.0       4.7
     127.0       2.9
     128.0       6.2
     129.0       3.7
     139.0       2.8
     141.0       3.1
     142.0       1.3
     151.0       2.0
     152.0       8.2
     153.0      11.3
     154.0       5.6
     155.0      58.2
     156.0       8.2
     165.0       2.7
     167.0       1.8
     168.0       1.4
     169.0      17.5
     170.0     100.0
     171.0      14.4
     172.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₄	11.3 mg : 0.5 ml CDCl₃
2,3,6-trimethylnaphthalene

    Assign.     Shift(ppm)

      A             7.615
      B             7.532
      C             7.491
      D             7.482
      E             7.208
      F             2.471
      G             2.40
     
     J(A,E)=8.3HZ. J(E,D)=1.6HZ.

     Hz     ppm     Int.

   3047.73   7.626    113
   3039.43   7.606    125
   3010.13   7.532    165
   2993.77   7.491    175
   2990.11   7.482    146
   2885.38   7.220     90
   2883.67   7.216     86
   2876.95   7.199     81
   2875.37   7.195     76
    987.79   2.472    685
    958.13   2.398   1000
    949.58   2.377     26
    948.85   2.375     22

in CDCl3