16650-14-9

螺[1,3,3-三甲基吲哚-(6'-溴苯并二氢吡喃)][光致变色化合物](16650-14-9)核磁图(¹HNMR)

产品名称:螺[1,3,3-三甲基吲哚-(6'-溴苯并二氢吡喃)][光致变色化合物]

CAS:16650-14-9

分子式:C19H18BrNO

分子量: 356.26

InChI:InChI=1S/C19H18BrNO/c1-18(2)15-6-4-5-7-16(15)21(3)19(18)11-10-13-12-14(20)8-9-17(13)22-19/h4-12H,1-3H3

InChIKey: BDULIJWZMMHIEQ-UHFFFAOYSA-N

Smiles:C12(C(C)(C)C3=C(N1C)C=CC=C3)OC1=CC=C(Br)C=C1C=C2

Mass

MS-IW-4316          
6-bromo-1',3',3'-trimethylspiro(2H-chromene-2,2'-indoline)
C19H18BrNO          (Mass of molecular ion:    355)

   Source Temperature: 160 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      51.0       1.0
      63.0       1.0
      77.0       2.3
      89.0       1.7
      91.0       1.7
      95.5       1.5
     101.0       1.5
     102.0       2.2
     102.5       1.0
     103.0       1.5
     107.5       1.1
     108.5       5.0
     109.0       3.3
     114.0       1.6
     114.5       1.0
     115.0       4.5
     115.5       3.1
     116.0       2.4
     116.5       1.1
     117.0       2.3
     118.0       1.5
     120.5       1.9
     121.0       1.2
     121.5       1.3
     123.0       1.2
     123.5       3.2
     124.0       4.1
     128.0       1.9
     129.0       1.7
     130.0       2.6
     130.5       5.0
     131.0       2.4
     132.0       1.3
     138.0       1.4
     142.0       1.1
     143.0       2.9
     144.0      15.2
     145.0       4.4
     154.0       1.3
     156.0       3.0
     157.0       2.3
     158.0      34.5
     159.0     100.0
     160.0      12.6
     163.5       3.1
     164.5       2.5
     167.0       1.8
     168.0       3.0
     169.0       1.2
     170.0       3.6
     171.0       5.2
     172.0       1.6
     173.0       3.3
     177.5       1.7
     178.5       1.7
     184.0       1.2
     203.0       1.2
     209.0       1.9
     211.0       1.8
     216.0       2.0
     217.0       3.5
     218.0       2.9
     230.0       1.2
     231.0       1.3
     232.0       1.6
     244.0       1.2
     245.0       1.2
     246.0       1.9
     260.0       6.0
     261.0       7.2
     262.0       1.4
     310.0       1.1
     312.0       1.5
     324.0       2.1
     325.0       4.9
     326.0       2.6
     327.0       4.5
     338.0       5.1
     339.0       2.0
     340.0      20.6
     341.0       5.0
     342.0      16.1
     343.0       3.3
     354.0       6.5
     355.0      54.2
     356.0      17.4
     357.0      53.9
     358.0      11.0
     359.0       1.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₉ H₁₈ Br N O	0.041 g : 0.5 ml CDCl₃
6-bromo-1',3',3'-trimethylspiro(2H-chromene-2,2'-indoline)

    Assign.     Shift(ppm)

      A             7.180
      B             7.16
      C             7.14
      D             7.064
      E             6.845
      F             6.769
      G             6.585
      J             6.520
      K             5.715
      L             2.708
      M     *1      1.285
      N     *1      1.152
     
     ASSIGNED BY H-H COSY

     Hz     ppm     Int.

   2875.49   7.196     53
   2874.27   7.192     57
   2867.92   7.177    107
   2866.58   7.173    116
   2864.87   7.169     48
   2862.30   7.163    188
   2861.45   7.160    204
   2860.23   7.157    118
   2859.13   7.155    193
   2855.47   7.145    137
   2853.03   7.139     66
   2828.00   7.077     68
   2827.51   7.075     75
   2826.66   7.073     77
   2826.29   7.072     71
   2820.31   7.057     91
   2819.46   7.055     89
   2743.29   6.865     64
   2742.43   6.863     69
   2735.96   6.846     98
   2734.99   6.844    103
   2728.52   6.828     52
   2727.54   6.825     53
   2710.57   6.783    110
   2700.32   6.757    115
   2636.47   6.597    108
   2626.95   6.574     98
   2609.74   6.531     97
   2602.05   6.511     92
   2289.31   5.729    151
   2279.05   5.703    144
   1082.40   2.709   1000
    513.55   1.285    676
    460.45   1.153    626

in CDCl3