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132-86-5

间萘二酚(132-86-5)Raman光谱

产品名称:间萘二酚

CAS:132-86-5

分子式:C10H8O2

分子量: 160.17

InChI:InChI=1S/C10H8O2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6,11-12H

InChIKey: XOOMNEFVDUTJPP-UHFFFAOYSA-N

Smiles:C1(O)=C2C(C=CC=C2)=CC(O)=C1

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    Mass

    MS-NW-0112          
    1,3-naphthalenediol
    C10H8O2             (Mass of molecular ion:    160)
    

       Source Temperature: 230 °C
       Sample Temperature:   0 °C
       Direct, 75 eV
    

          14.0       2.2
          15.0       1.4
          26.0       3.6
          27.0       9.5
          29.0      10.3
          37.0       5.5
          38.0      12.2
          39.0      27.6
          40.0       2.5
          41.0       3.1
          42.0       7.3
          43.0       1.9
          49.0       3.3
          50.0      27.8
          51.0      42.4
          52.0       9.4
          53.0       9.3
          54.0       2.1
          55.0       3.5
          61.0       9.3
          62.0      25.1
          63.0      45.1
          64.0       9.7
          65.0       6.6
          65.5       1.9
          66.0       2.1
          69.0      10.8
          73.0       3.1
          74.0      18.4
          75.0      19.0
          76.0      18.7
          77.0      76.7
          78.0      20.7
          79.0       2.2
          80.0       1.5
          85.0       3.9
          86.0       8.4
          87.0      12.7
          88.0       6.2
          89.0      25.6
          90.0      36.4
          91.0      13.8
          92.0       2.0
          98.0       3.0
          99.0       1.3
         101.0       5.3
         102.0      31.2
         103.0      61.6
         104.0      22.7
         105.0       6.3
         110.0       1.1
         113.0       5.4
         114.0       7.5
         115.0      13.0
         116.0       1.6
         118.0      14.3
         119.0       3.0
         129.0       1.3
         130.0       1.2
         131.0     100.0
         132.0      35.0
         133.0       3.1
         142.0       1.0
         159.0       2.1
         160.0      95.5
         161.0      11.1
         162.0       1.0
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C10 H8 O2 0.036 g : 0.5 ml DMSO-d6
    1,3-naphthalenediol
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 10.07 B *1 9.48 C 7.982 D 7.561 E 7.329 F 7.170 G 6.618 J 6.546

         Hz     ppm     Int.
    

       4027.10  10.077   1000
       3790.44   9.485    878
       3194.43   7.994    303
       3186.04   7.973    316
       3026.28   7.573    300
       3018.04   7.552    352
       2937.47   7.351    155
       2936.40   7.348    179
       2930.60   7.333    207
       2929.53   7.331    307
       2928.16   7.327    217
       2922.52   7.313    161
       2921.30   7.310    179
       2873.23   7.190    188
       2872.31   7.188    209
       2865.30   7.170    298
       2864.07   7.167    249
       2858.12   7.152    153
       2857.21   7.150    162
       2646.18   6.622    405
       2644.20   6.617    524
       2617.34   6.550    564
       2615.20   6.544    573
    

in D2O

in DMSO-d6

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KBr disc

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