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Back ChemicalBook Home>CAS DataBase List>581-43-1More Spectrum> 2,6-Naphthalenediol (581-43-1) 13C NMR

2,6-Naphthalenediol (581-43-1) 13C NMR

Product Name2,6-Naphthalenediol

CAS581-43-1

Molecular FormulaC10H8O2

Molecular Weight160.17

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

InChIKey MNZMMCVIXORAQL-UHFFFAOYSA-N

SmilesC1=C2C(C=C(O)C=C2)=CC=C1O


  • Mass

    MS-NW-6350          
    2,6-naphthalenediol
    C10H8O2 2H2O        (Mass of molecular ion:    160)
    

       Source Temperature: 150 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       4.2
          28.0       1.3
          39.0       1.2
          50.0       2.1
          51.0       4.9
          52.0       1.0
          62.0       1.1
          63.0       1.7
          65.5       1.4
          74.0       1.3
          75.0       1.6
          76.0       1.5
          77.0       7.5
          78.0       1.4
          80.0       4.9
         102.0       3.1
         103.0       6.4
         104.0       2.4
         115.0       2.4
         131.0      23.0
         132.0       5.9
         144.0       2.1
         159.0       2.3
         160.0     100.0
         161.0      10.5
         162.0       1.1
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C10 H8 O2 0.039 g : 0.5 ml DMSO-d6
    2,6-naphthalenediol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.36 B 7.546 C 7.055 D 7.018

         Hz     ppm     Int.
    

       3738.71   9.355    429
       3020.48   7.558    773
       3011.78   7.537    831
       2820.89   7.059    848
       2818.45   7.053   1000
       2809.91   7.031    595
       2807.62   7.026    427
       2801.21   7.010    518
       2798.92   7.004    410
    

in DMSO-d6



KBr disc



nujol mull



2,6-Naphthalenediol (581-43-1) 13C NMR Atlas of Related Products

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