1721-93-3

1-甲基異喹啉(1721-93-3)核磁圖(¹HNMR)

產(chǎn)品名稱:1-甲基異喹啉

CAS:1721-93-3

分子式:C10H9N

分子量: 143.19

InChI:InChI=1S/C10H9N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-7H,1H3

InChIKey: PBYMYAJONQZORL-UHFFFAOYSA-N

Smiles:C1(C)C2=C(C=CC=C2)C=CN=1

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3008          
1-methylisoquinoline
C10H9N              (Mass of molecular ion:    143)

   Source Temperature: 190 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      39.0       2.3
      50.0       2.9
      51.0       4.1
      52.0       1.1
      57.5       1.4
      58.5       4.2
      62.0       1.9
      63.0       4.1
      65.0       1.3
      70.5       2.0
      71.5       3.7
      74.0       2.4
      75.0       4.0
      76.0       2.7
      77.0       3.4
      87.0       1.0
      88.0       1.0
      89.0       3.3
      90.0       1.2
     101.0       4.3
     102.0       2.8
     103.0       2.1
     113.0       1.3
     114.0       1.9
     115.0      28.3
     116.0      12.7
     117.0       2.4
     128.0      10.5
     129.0       1.1
     140.0       1.9
     141.0       1.5
     142.0      10.9
     143.0     100.0
     144.0      11.4
     149.0       1.1

parameter in CCl4

¹H NMR	300 MHz
C₁₀ H₉ N	5 wt% in CCl₄
1-methylisoquinoline

    Parameter     ppm  Hz

      D(A)         8.291
      D(B)         7.363
      D(C)         7.689
      D(D)         7.548
      D(E)         7.471
      D(F)         8.013
      D(G)         2.889
       J(A,B)          5.78
       J(A,C)          0.25
       J(A,D)          0.10
       J(A,E)          0.26
       J(A,F)         -0.10
       J(A,G)          0.35
       J(B,C)         -0.37
       J(B,D)          0.09
       J(B,E)         -0.09
       J(B,F)          0.94
       J(B,G)         -0.65
       J(C,D)          8.25
       J(C,E)          1.31
       J(C,F)          0.76
       J(C,G)          0.03
       J(D,E)          6.88
       J(D,F)          1.23
       J(D,G)          0.0
       J(E,F)          8.46
       J(E,G)          0.03
       J(F,G)          0.0
     
     BALKAU,F. & HEFFERNAN,M.L. AUST.J.CHEM. 24, 2311 (1971)

     Hz     ppm     Int.

   2490.26   8.301    176
   2484.46   8.282    183
   2408.84   8.029     88
   2408.14   8.027     85
   2407.53   8.025     91
   2406.67   8.022     50
   2399.92   8.000    101
   2399.26   7.998     98
   2398.41   7.995     55
   2310.68   7.702     77
   2302.97   7.677    114
   2272.67   7.576     63
   2271.36   7.571     67
   2265.86   7.553    112
   2264.55   7.548    132
   2263.24   7.544     49
   2257.80   7.526     85
   2256.39   7.521     75
   2249.03   7.497     90
   2247.46   7.492     91
   2242.12   7.474     55
   2240.66   7.469    120
   2239.25   7.464     81
   2233.85   7.446     49
   2232.44   7.441     45
   2211.82   7.373    118
   2205.97   7.353    113
    866.75   2.889   1000

in CDCl3