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100-83-4

间羟基苯甲醛(100-83-4)质谱(MS)

产品名称:间羟基苯甲醛

CAS:100-83-4

分子式:C7H6O2

分子量: 122.12

InChI:InChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H

InChIKey: IAVREABSGIHHMO-UHFFFAOYSA-N

Smiles:C(=O)C1=CC=CC(O)=C1

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    Mass

    MS-NW-4790          
    m-hydroxybenzaldehyde
    C7H6O2              (Mass of molecular ion:    122)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0       1.2
          27.0       2.4
          28.0       2.7
          29.0       4.3
          37.0       3.4
          38.0       6.9
          39.0      31.6
          40.0       6.2
          50.0       4.7
          51.0       4.2
          53.0       5.2
          55.0       3.5
          61.0       2.4
          62.0       4.0
          63.0       9.1
          64.0       4.9
          65.0      44.2
          66.0      10.0
          74.0       2.0
          75.0       1.5
          76.0       1.3
          92.0       2.1
          93.0      49.6
          94.0       9.5
         121.0      87.6
         122.0     100.0
         123.0       8.3
    

400 MHz in DMSO-d6

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H6 O2 0.034 g : 0.5 ml DMSO-d6
    m-hydroxybenzaldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.0 B 9.938 C 7.434 D 7.382 E 7.279 F 7.131

         Hz     ppm     Int.
    

       3999.94  10.009     70
       3971.86   9.939   1000
       2979.74   7.456    155
       2972.26   7.438    371
       2964.32   7.418    325
       2954.56   7.393    225
       2953.19   7.390    398
       2951.81   7.386    285
       2947.08   7.375    134
       2945.56   7.371    213
       2944.34   7.368    140
       2911.38   7.285    267
       2909.85   7.281    284
       2908.78   7.279    308
       2907.71   7.276    268
       2907.26   7.275    267
       2855.53   7.146    203
       2854.31   7.143    221
       2852.94   7.139    204
       2851.72   7.136    201
       2847.75   7.126    188
       2846.37   7.123    192
       2845.15   7.120    184
       2843.78   7.116    176
    

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    1H NMR 89.56 MHz
    C7 H6 O2 0.043 g : 0.5 ml CDCl3
    m-hydroxybenzaldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.930 B 7.62 to 7.30 C 7.20 D 6.72

         Hz     ppm     Int.
    

        889.31   9.930   1000
        668.31   7.463    253
        667.38   7.452    497
        666.50   7.442    257
        665.81   7.435    224
        663.81   7.412    529
        663.25   7.406    635
        662.38   7.396    491
        650.13   7.260    112
        648.00   7.236    206
        645.88   7.212    111
        644.38   7.195    148
        641.38   7.162    115
        639.19   7.138     94
        602.19   6.724    230
    

in CDCl3

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KBr disc

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nujol mull

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