1,5-Dihydroxy naphthalene(83-56-7) MS

Product Name1,5-Dihydroxy naphthalene

CAS 83-56-7

Molecular FormulaC10H8O2

Molecular Weight160.17

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

InChIKey BOKGTLAJQHTOKE-UHFFFAOYSA-N

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

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¹HNMR

IR1

IR2

Mass

MS-NW-0100          
1,5-naphthalenediol
C10H8O2             (Mass of molecular ion:    160)

   Source Temperature: 210 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      39.0       1.9
      50.0       2.7
      51.0       6.9
      52.0       1.4
      53.0       1.1
      62.0       1.4
      63.0       2.4
      65.0       1.5
      65.5       1.9
      66.0       2.1
      74.0       2.1
      75.0       2.2
      76.0       2.6
      77.0      10.0
      78.0       3.3
      80.0       4.3
     102.0       4.3
     103.0       9.8
     104.0       4.8
     114.0       1.0
     115.0       3.5
     131.0      58.1
     132.0      12.8
     133.0       1.1
     159.0       3.8
     160.0     100.0
     161.0      11.3
     162.0       1.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₈ O₂	0.031 g : 0.5 ml DMSO-d₆
1,5-naphthalenediol

    Assign.     Shift(ppm)

      A             9.92
      B             7.588
      C             7.224
      D             6.852

     Hz     ppm     Int.

   3962.71   9.916    363
   3046.88   7.624     26
   3046.11   7.622     26
   3036.96   7.600    881
   3028.56   7.579    982
   2895.36   7.245    554
   2887.42   7.225    950
   2879.49   7.206    563
   2742.31   6.862   1000
   2734.83   6.844    916

KBr disc