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56707-65-4

5-SEC-BUTYLPYROGALLOL

Product Name 5-SEC-BUTYLPYROGALLOL

CAS56707-65-4

MFC10H14O3

MW182.22

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  • 56707-65-4_ms_1
    Mass

    MS-IW-3535          
    5-sec-butylpyrogallol
    C10H14O3            (Mass of molecular ion:    182)
    

       Source Temperature: 220 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          27.0       2.6
          29.0       2.1
          39.0       4.1
          41.0       2.7
          43.0       2.9
          50.0       1.3
          51.0       3.8
          52.0       1.8
          53.0       3.9
          55.0       4.8
          63.0       1.4
          65.0       2.1
          67.0       1.2
          69.0       1.4
          75.0       1.7
          77.0       6.7
          78.0       3.5
          79.0       4.6
          81.0       1.1
          89.0       1.2
          91.0       2.2
         105.0       1.6
         106.0       1.0
         107.0      13.1
         108.0       1.7
         109.0       1.0
         115.0       2.2
         121.0       1.8
         123.0       1.2
         125.0       1.7
         126.0       2.2
         127.0       3.7
         135.0       7.7
         139.0       7.8
         149.0       1.1
         152.0       2.5
         153.0     100.0
         154.0       9.7
         155.0       1.1
         167.0       4.4
         173.0       1.4
         182.0      23.8
         183.0       2.6
         209.0       5.8
         210.0       1.0
         238.0       1.1
    

400 MHz in DMSO-d6

  • 56707-65-4_1hnmr_0

    1H NMR 399.65 MHz
    C10 H14 O3 0.030 g : 0.5 ml DMSO-d6
    5-sec-butylpyrogallol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.60 B 7.79 C 6.089 D 2.289 E 1.43 F 1.080 G 0.745

         Hz     ppm     Int.
    

       3437.13   8.601    796
       3114.14   7.793    317
       2433.47   6.090   1000
        925.78   2.317     45
        918.82   2.300     88
        911.62   2.282     93
        904.79   2.264     52
        586.67   1.468     34
        583.50   1.461     30
        579.59   1.451     96
        576.05   1.442     99
        572.39   1.433    121
        568.60   1.423    142
        565.67   1.416    101
        561.16   1.405    101
        558.96   1.399     40
        558.47   1.398     40
        555.05   1.389     36
        553.96   1.387     35
        435.30   1.090    660
        428.34   1.072    645
        305.18   0.764    335
        297.85   0.746    713
        290.41   0.727    309
    

in DMSO-d6

  • 56707-65-4_13cnmr_0

KBr disc

  • 56707-65-4_ir1_2

nujol mull

  • 56707-65-4_ir2_1

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