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620-24-6

3-羟基苯甲醇(620-24-6)红外图谱(IR1)

产品名称:3-羟基苯甲醇

CAS:620-24-6

分子式:C7H8O2

分子量: 124.14

InChI:InChI=1S/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2

InChIKey: OKVJCVWFVRATSG-UHFFFAOYSA-N

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

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    Mass

    MS-NW-8087          
    3-hydroxybenzyl alcohol
    C7H8O2              (Mass of molecular ion:    124)
    

       Source Temperature: 160 °C
       Sample Temperature:  90 °C
       Direct, 75 eV
    

          18.0       2.9
          26.0       1.8
          27.0       9.2
          28.0       3.4
          29.0       8.4
          31.0       6.7
          37.0       3.7
          38.0       9.7
          39.0      39.0
          40.0       6.7
          41.0      15.5
          42.0       1.8
          43.0       3.1
          47.0       1.1
          49.0       1.2
          50.0       8.7
          51.0      18.4
          52.0       6.6
          53.0       9.0
          54.0       1.0
          55.0      10.0
          61.0       2.8
          61.5       1.3
          62.0       5.8
          63.0      11.5
          64.0       4.8
          65.0      22.9
          66.0      11.7
          67.0      15.8
          68.0       1.9
          74.0       2.9
          75.0       1.9
          76.0       2.1
          77.0      87.9
          78.0      50.0
          79.0      18.3
          80.0       1.2
          81.0       2.2
          93.0       6.3
          94.0       6.3
          95.0      98.8
          96.0       8.3
         105.0      26.3
         106.0      20.9
         107.0      26.0
         108.0       2.1
         121.0       3.8
         123.0      29.3
         124.0     100.0
         125.0       7.9
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C7 H8 O2 0.036 g : 0.5 ml DMSO-d6
    3-hydroxybenzyl alcohol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.28 B 7.097 C 6.759 D 6.717 E 6.620 F 5.11 G 4.419

         Hz     ppm     Int.
    

       3710.63   9.285    811
       2844.54   7.118    447
       2841.34   7.110     46
       2840.58   7.108     48
       2836.76   7.099    825
       2832.64   7.088     43
       2828.98   7.079    526
       2701.11   6.759    628
       2699.43   6.755    543
       2688.60   6.728    494
       2687.99   6.726    468
       2681.12   6.709    427
       2680.51   6.708    425
       2651.21   6.634    346
       2650.76   6.633    370
       2649.23   6.629    333
       2648.77   6.628    328
       2648.16   6.627    331
       2642.67   6.613    334
       2641.14   6.609    308
       2640.69   6.608    298
       2640.23   6.607    291
       2050.63   5.132    246
       2044.83   5.117    487
       2039.03   5.103    257
       1768.65   4.426   1000
       1763.15   4.412    936
    

in DMSO-d6

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KBr disc

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nujol mull

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