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493-05-0

异色满(493-05-0)质谱(MS)

产品名称:异色满

CAS:493-05-0

分子式:C9H10O

分子量: 134.18

InChI:InChI=1S/C9H10O/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4H,5-7H2

InChIKey: HEBMCVBCEDMUOF-UHFFFAOYSA-N

Smiles:C1OCC2=CC=CC=C2C1

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    Mass

    MS-IW-9457          
    isochroman
    C9H10O              (Mass of molecular ion:    134)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       4.8
          28.0       1.2
          29.0       1.3
          38.0       1.5
          39.0       7.9
          50.0       5.9
          51.0      14.6
          52.0       5.1
          53.0       2.1
          55.0       2.8
          62.0       1.7
          63.0       5.1
          65.0       3.3
          74.0       2.3
          75.0       2.0
          76.0       2.5
          77.0      22.3
          78.0      20.2
          79.0      11.3
          89.0       2.2
          90.0       1.9
          91.0       7.0
          92.0       1.0
         102.0       3.4
         103.0      20.9
         104.0     100.0
         105.0      42.4
         106.0      10.0
         115.0       3.6
         118.0       2.3
         133.0      28.8
         134.0      50.6
         135.0       4.9
         148.0       1.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C9 H10 O 0.05 g : 0.5 ml CDCl3
    isochroman
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.09 B 7.07 C 7.03 D 6.871 E 4.678 F 3.869 G 2.749 ASSIGNED BY C-H COSY.

         Hz     ppm     Int.
    

       2839.97   7.107     36
       2835.08   7.094    293
       2834.59   7.093    310
       2833.25   7.090    130
       2832.64   7.088    173
       2832.03   7.087    124
       2830.32   7.082    378
       2829.96   7.082    402
       2828.00   7.077    213
       2826.29   7.072    398
       2825.32   7.070    433
       2822.63   7.063     71
       2820.68   7.058     88
       2816.16   7.047     42
       2814.58   7.043     43
       2811.04   7.034    202
       2810.67   7.033    209
       2807.86   7.026    166
       2806.64   7.023    197
       2805.42   7.020    102
       2804.81   7.019     88
       2804.20   7.017     96
       2803.59   7.016     84
       2803.10   7.014     93
       2802.12   7.012    124
       2801.64   7.011    124
       2751.10   6.884    164
       2750.49   6.883    174
       2748.78   6.878    112
       2748.17   6.877     89
       2747.56   6.875     95
       2745.85   6.871    183
       2745.36   6.870    171
       2744.87   6.869    144
       2742.07   6.862    154
       2741.58   6.860    155
       1870.61   4.681    730
       1870.00   4.680    772
       1552.25   3.885    604
       1546.39   3.870   1000
       1540.77   3.856    717
       1105.35   2.766    213
       1104.86   2.765    231
       1098.88   2.750    430
       1093.38   2.736    257
    

in CDCl3

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liquid film

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4880 A,200 M,powder

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