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Back ChemicalBook Home>CAS DataBase List>571-60-8More Spectrum> 1,4-Dihydroxynaphthalene(571-60-8) IR1

1,4-Dihydroxynaphthalene(571-60-8) IR1

Molecular FormulaC10H8O2

Molecular Weight160.17

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

InChIKey PCILLCXFKWDRMK-UHFFFAOYSA-N

SmilesC1(O)=C2C(C=CC=C2)=C(O)C=C1


  • Mass

    MS-NW-4033          
    1,4-naphthalenediol
    C10H8O2             (Mass of molecular ion:    160)
    

       Source Temperature: 190 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          17.0       1.4
          18.0       6.2
          27.0       1.8
          28.0       1.2
          38.0       1.5
          39.0       1.8
          50.0       6.0
          51.0       7.2
          52.0       1.8
          53.0       2.1
          54.0       1.1
          55.0       1.8
          62.0       1.1
          63.0       2.1
          65.5       1.7
          66.0       3.0
          74.0       3.1
          75.0       3.4
          76.0      10.5
          77.0      15.0
          78.0       2.9
          80.0       2.9
          82.0       1.5
         102.0       5.5
         103.0      11.4
         104.0      19.2
         105.0      16.3
         106.0       1.4
         114.0       1.0
         115.0       2.8
         130.0       2.7
         131.0      35.7
         132.0      14.5
         133.0       1.7
         158.0       5.1
         159.0       6.6
         160.0     100.0
         161.0      11.2
         162.0       1.1
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C10 H8 O2 0.038 g : 0.5 ml DMSO-d6
    1,4-naphthalenediol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.326 B 8.076 C 7.431 D 6.703

         Hz     ppm     Int.
    

       3727.87   9.328    790
       3237.15   8.100     42
       3235.93   8.097     53
       3233.18   8.091    292
       3229.98   8.083    261
       3227.08   8.075    265
       3223.88   8.067    305
       3223.42   8.066    320
       3221.13   8.060     58
       3219.91   8.057     42
       2977.45   7.451     57
       2974.70   7.444    294
       2971.50   7.436    252
       2968.29   7.428    247
       2964.94   7.419    278
       2962.49   7.413     56
       2678.99   6.704   1000
    

in DMSO-d6



KBr disc



nujol mull



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