13523-86-9

吲哚洛爾(13523-86-9)核磁圖(¹³CNMR)

產(chǎn)品名稱:吲哚洛爾

CAS:13523-86-9

分子式:C14H20N2O2

分子量: 248.32

InChI:InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3

InChIKey: JZQKKSLKJUAGIC-UHFFFAOYSA-N

Smiles:C(OC1=CC=CC2=C1C=CN2)C(O)CNC(C)C

Mass

MS-IW-4296          
1-(4-indolyloxy)-3-isopropylamino-2-propanol
C14H20N2O2          (Mass of molecular ion:    248)

   Source Temperature: 170 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       3.6
      27.0       2.5
      28.0       4.4
      29.0       1.3
      30.0      36.2
      39.0       2.3
      41.0       5.6
      42.0       4.0
      43.0       8.3
      44.0       3.0
      50.0       1.2
      51.0       2.7
      52.0       1.4
      55.0       1.0
      56.0      17.2
      57.0       2.9
      58.0       3.2
      60.0       2.4
      63.0       1.2
      66.5       1.6
      70.0       3.2
      71.0       2.6
      72.0      76.3
      73.0       3.7
      74.0       2.4
      76.0       1.3
      77.0       4.2
      78.0       3.6
      79.0       1.3
      82.0       1.4
      84.0       1.1
      89.0       2.8
      98.0       5.2
     100.0       6.4
     102.0       4.1
     104.0      11.6
     105.0       8.8
     114.0       2.3
     115.0       1.7
     116.0      15.6
     116.5       2.1
     117.0       3.3
     118.0       1.6
     130.0       1.0
     132.0       6.8
     133.0     100.0
     134.0      11.0
     146.0       2.2
     147.0       1.6
     158.0       1.1
     159.0       2.7
     172.0       2.7
     175.0       1.0
     204.0       8.6
     205.0       1.3
     230.0       2.8
     233.0       2.5
     248.0      18.2
     249.0       3.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₄ H₂₀ N₂ O₂	0.038 g : 0.5 ml DMSO-d₆
1-(4-indolyloxy)-3-isopropylamino-2-propanol

    Assign.     Shift(ppm)

      A            11.07
      B             7.206
      C             7.00
      D             6.981
      E             6.475
      F             6.46
      G     *1      5.03
      J     *2      4.03
      K     *2      4.01
      L             3.95
      M     *3      2.766
      N             2.728
      P     *3      2.619
      Q     *1      1.5
      R     *4      0.992
      S     *4      0.987
     
     J(J,K)=-9.6HZ
     J(L,M)=4.6HZ
     J(L,P)=6.9HZ
     J(M,P)=-11.6HZ

     Hz     ppm     Int.

   4425.35  11.074    100
   2882.39   7.213    164
   2879.64   7.206    205
   2877.20   7.200    161
   2802.43   7.013     71
   2801.82   7.011     61
   2795.10   6.994    316
   2793.58   6.991    496
   2786.71   6.973    280
   2778.63   6.953     96
   2592.16   6.487    187
   2590.48   6.482    189
   2585.30   6.469    178
   2583.62   6.465    201
   2581.94   6.461    163
   2579.80   6.456    190
   2577.51   6.450    148
   2010.80   5.032     48
   1621.09   4.057     41
   1615.60   4.043     62
   1611.48   4.033    161
   1606.29   4.020    326
   1601.26   4.007    223
   1596.98   3.996     36
   1591.64   3.983     85
   1588.75   3.976     37
   1583.10   3.962     66
   1577.45   3.948     76
   1572.27   3.935     51
   1114.65   2.790     83
   1110.08   2.778     87
   1102.91   2.760    129
   1098.48   2.749    119
   1095.28   2.741    131
   1089.02   2.725    169
   1082.76   2.710    126
   1076.66   2.695     51
   1055.30   2.641    126
   1048.43   2.624    128
   1043.70   2.612     96
   1036.83   2.595     90
    399.63   1.000   1000
    397.64   0.995    955
    393.37   0.985    958
    391.39   0.980    893

in DMSO-d6