31519-22-9

1,4-二羥基-2-萘甲酸(31519-22-9)質(zhì)譜(MS)

產(chǎn)品名稱(chēng):1,4-二羥基-2-萘甲酸

CAS:31519-22-9

分子式:C11H8O4

分子量: 204.18

InChI:InChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15)

InChIKey: VOJUXHHACRXLTD-UHFFFAOYSA-N

Smiles:C1(O)=C2C(C=CC=C2)=C(O)C=C1C(O)=O

Mass

MS-IW-6662          
1,4-dihydroxy-2-naphthoic acid
C11H8O4             (Mass of molecular ion:    204)

   Source Temperature: 160 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      17.0       1.6
      18.0       9.2
      27.0       1.0
      28.0       3.6
      38.0       1.6
      39.0       1.3
      44.0      24.9
      50.0       5.8
      51.0      10.6
      51.5       1.0
      52.0       4.9
      53.0       2.9
      55.0       1.0
      62.0       1.0
      63.0       2.0
      65.0       1.7
      65.5       1.9
      66.0      21.0
      66.5       1.9
      74.0       3.4
      75.0       5.3
      76.0      13.4
      77.0      10.4
      78.0       1.7
      79.0       1.7
      80.0       2.5
      93.0       4.1
     101.0       5.7
     102.0      33.5
     103.0       8.6
     104.0      18.1
     105.0      12.0
     106.0       1.0
     115.0       1.3
     129.0       3.5
     130.0      42.5
     131.0      21.5
     132.0       9.0
     133.0       1.2
     157.0       4.1
     158.0      31.1
     159.0       7.8
     160.0      60.4
     161.0       6.7
     185.0       3.4
     186.0     100.0
     187.0      12.7
     188.0       1.5
     204.0      51.1
     205.0       6.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₁ H₈ O₄	0.036 g : 0.5 ml DMSO-d₆
1,4-dihydroxy-2-naphthoic acid

    Assign.     Shift(ppm)

      A            13.
      B            12.1
      C             9.82
      D             8.285
      E             8.161
      F             7.687
      G             7.615
      J             7.161

     Hz     ppm     Int.

   3924.32   9.820     48
   3315.43   8.296    241
   3307.37   8.276    258
   3266.11   8.173    241
   3258.06   8.153    269
   3081.05   7.710    124
   3079.83   7.707    133
   3074.22   7.693    204
   3072.75   7.689    263
   3071.53   7.686    136
   3065.92   7.672    189
   3064.45   7.668    176
   3051.03   7.635    175
   3049.56   7.631    189
   3043.95   7.617    138
   3042.72   7.614    254
   3041.26   7.610    185
   3035.64   7.596    117
   3034.42   7.593    114
   2862.30   7.163   1000

in DMSO-d6