1,7-二羥基萘(575-38-2)質(zhì)譜(MS)

產(chǎn)品名稱:1,7-二羥基萘

CAS:575-38-2

分子式:C10H8O2

分子量: 160.17

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

InChIKey: ZUVBIBLYOCVYJU-UHFFFAOYSA-N

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

¹HNMR

IR1

IR2

Mass

MS-NW-0130          
1,7-naphthalenediol
C10H8O2             (Mass of molecular ion:    160)

   Source Temperature: 170 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      38.0       1.0
      39.0       2.0
      50.0       2.9
      51.0       7.5
      52.0       1.7
      53.0       1.4
      62.0       1.9
      63.0       3.3
      65.0       1.5
      65.5       2.4
      66.0       2.3
      74.0       2.5
      75.0       2.6
      76.0       2.7
      77.0      11.7
      78.0       2.5
      80.0       5.3
      87.0       1.1
     101.0       1.0
     102.0       5.4
     103.0      11.0
     104.0       4.7
     105.0       1.3
     113.0       1.3
     114.0       1.6
     115.0       3.8
     131.0      46.4
     132.0      17.0
     133.0       1.6
     159.0       4.3
     160.0     100.0
     161.0      11.2
     162.0       1.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₈ O₂	0.035 g : 0.5 ml DMSO-d₆
1,7-naphthalenediol

    Assign.     Shift(ppm)

      A     *1      9.80
      B     *1      9.60
      C             7.659
      D             7.407
      E             7.217
      F             7.06
      G             7.05
      J             6.791

     Hz     ppm     Int.

   3916.47   9.800   1000
   3835.14   9.597    986
   3065.80   7.672    447
   3056.95   7.650    483
   2961.43   7.411    452
   2959.14   7.405    523
   2888.79   7.229    322
   2880.71   7.209    413
   2833.40   7.090     25
   2829.90   7.081    287
   2823.94   7.067    337
   2821.96   7.062    758
   2814.64   7.043    427
   2813.11   7.039    412
   2717.74   6.801    430
   2710.27   6.782    381

KBr disc