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返回ChemicalBook首页>CAS数据库列表>16650-14-9更多图谱> 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)

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)

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

  • 图谱
    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

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    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)
    ChemicalStructure
        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

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CCl4 solution

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KBr disc

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