132-86-5

間萘二酚(132-86-5)紅外圖譜(IR1)

產(chǎn)品名稱:間萘二酚

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

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

¹H NMR	399.65 MHz
C₁₀ H₈ O₂	0.036 g : 0.5 ml DMSO-d₆
1,3-naphthalenediol

    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