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2835-96-3

2-甲基-4-氨基苯酚(2835-96-3)质谱(MS)

分子式:C7H9NO

分子量: 123.15

InChI:InChI=1S/C7H9NO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,8H2,1H3

InChIKey: HDGMAACKJSBLMW-UHFFFAOYSA-N

Smiles:C1(O)=CC=C(N)C=C1C

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    Mass

    MS-NW-7247          
    4-amino-o-cresol
    C7H9NO              (Mass of molecular ion:    123)
    

       Source Temperature: 230 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          18.0       1.5
          26.0       1.4
          27.0       3.1
          28.0       5.4
          29.0       1.0
          30.0       1.4
          37.0       1.4
          38.0       3.0
          39.0       8.4
          40.0       1.9
          41.0       6.7
          42.0       3.2
          43.0       1.2
          46.5       3.9
          47.0       2.4
          50.0       2.0
          51.0       4.9
          52.0       6.4
          52.5       1.1
          53.0       5.2
          54.0       4.3
          55.0       2.9
          61.0       2.0
          61.5       6.0
          62.0       1.4
          63.0       1.5
          65.0       4.1
          66.0       5.5
          67.0       6.4
          68.0       1.6
          77.0      10.9
          78.0       6.2
          79.0       3.1
          80.0       9.7
          81.0       1.7
          92.0       1.2
          93.0       4.6
          94.0      21.9
          95.0       4.7
          96.0       1.1
         104.0       5.9
         105.0       3.0
         106.0      11.5
         107.0       3.1
         108.0       1.0
         121.0       2.2
         122.0      39.7
         123.0     100.0
         124.0       8.0
    

90 MHz in DMSO-d6

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    1H NMR 89.56 MHz
    C7 H9 N O 0.038 g : 0.5 ml DMSO-d6
    4-amino-o-cresol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.13 B 6.47 C 6.33 D 6.25 E 4.25 F 2.006

         Hz     ppm     Int.
    

        727.88   8.128    100
        584.50   6.527    121
        576.31   6.435    247
        573.38   6.403     37
        573.06   6.399     38
        568.50   6.348    193
        567.69   6.339    199
        566.38   6.325    261
        565.81   6.318    272
        563.44   6.292    217
        560.69   6.261     96
        557.88   6.230     36
        557.38   6.224     40
        555.25   6.200     89
        552.56   6.170     55
        380.88   4.253    192
        179.88   2.009   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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