2027-17-0

2-異丙基萘(2027-17-0)質(zhì)譜(MS)

產(chǎn)品名稱:2-異丙基萘

CAS:2027-17-0

分子式:C13H14

分子量: 170.25

InChI:InChI=1S/C13H14/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h3-10H,1-2H3

InChIKey: TVYVQNHYIHAJTD-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-2654          
2-isopropylnaphthalene
C13H14              (Mass of molecular ion:    170)

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

      51.0       1.4
      63.0       2.1
      64.0       1.1
      71.0       1.1
      75.0       1.5
      76.0       5.1
      76.5       1.7
      77.0       3.1
      77.5       2.6
      85.0       1.0
     115.0       5.6
     126.0       1.9
     127.0       6.4
     128.0       9.5
     129.0       5.8
     139.0       1.3
     141.0       3.1
     151.0       2.2
     152.0       7.7
     153.0      11.5
     154.0       8.0
     155.0     100.0
     156.0      13.2
     165.0       1.0
     169.0       1.1
     170.0      36.2
     171.0       5.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₄	0.05 ml : 0.5 ml CDCl₃
2-isopropylnaphthalene

    Assign.     Shift(ppm)

      A             7.74
      B             7.72
      C             7.60
      D     *1      7.38
      E     *1      7.36
      F             7.332
      G             3.007
      J             1.303

     Hz     ppm     Int.

   3098.02   7.752    189
   3096.31   7.748    150
   3089.11   7.730    310
   3088.62   7.729    323
   3080.57   7.709    169
   3037.23   7.600    164
   3036.25   7.598    172
   3035.64   7.596    169
   2961.67   7.411     47
   2960.08   7.407     49
   2954.71   7.394    122
   2953.86   7.392     88
   2952.27   7.388     67
   2946.78   7.374    190
   2944.95   7.369    183
   2939.70   7.356     64
   2938.60   7.353    103
   2937.26   7.350    125
   2935.30   7.345    130
   2933.47   7.341    131
   2931.88   7.337     66
   2930.42   7.333     54
   2926.88   7.324    108
   2925.05   7.320    113
   1208.98   3.026     73
   1202.15   3.009     98
   1195.19   2.991     77
   1188.23   2.974     33
    524.41   1.313   1000
    517.46   1.295    990
    511.11   1.279     39

in CDCl3