2437-17-4

6-羥基-1-萘甲酸(2437-17-4)核磁圖(¹³CNMR)

產(chǎn)品名稱:6-羥基-1-萘甲酸

CAS:2437-17-4

分子式:C11H8O3

分子量: 188.18

InChI:InChI=1S/C11H8O3/c12-8-4-5-9-7(6-8)2-1-3-10(9)11(13)14/h1-6,12H,(H,13,14)

InChIKey: JCJUKCIXTRWAQY-UHFFFAOYSA-N

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

Mass

MS-IW-8190          
6-hydroxy-1-naphthoic acid
C11H8O3             (Mass of molecular ion:    188)

   Source Temperature: 170 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      17.0       1.5
      18.0       6.6
      28.0       1.4
      51.0       1.4
      57.0       2.4
      57.5       1.7
      62.0       1.2
      63.0       2.4
      65.0       1.2
      71.0       3.9
      71.5       2.4
      77.0       1.9
      80.0       2.3
      85.5       1.9
      88.0       1.2
      89.0       2.0
      94.0       4.6
     103.0       2.4
     113.0       1.6
     114.0       2.8
     115.0       7.6
     116.0       1.1
     131.0       2.3
     142.0       3.8
     143.0      29.2
     144.0       6.0
     159.0       1.6
     160.0       2.2
     170.0       4.9
     171.0      43.0
     172.0       5.3
     187.0       2.1
     188.0     100.0
     189.0      12.1
     190.0       1.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₁ H₈ O₃	0.037 g : 0.5 ml DMSO-d₆
6-hydroxy-1-naphthoic acid

    Assign.     Shift(ppm)

      A            13.
      B             9.98
      C             8.791
      D     *1      7.954
      E     *1      7.953
      F             7.485
      G             7.27
      J             7.26
     
     CONFIRMED BY LAOCN CALCULATION

     Hz     ppm     Int.

   3988.63   9.981     51
   3518.74   8.805    432
   3512.75   8.790    109
   3508.69   8.780    465
   3182.18   7.963   1000
   3174.70   7.944    737
   2999.06   7.505    340
   2991.58   7.486    426
   2983.67   7.466    308
   2911.45   7.286    220
   2908.88   7.279    494
   2905.46   7.271    587
   2903.11   7.265    737
   2901.62   7.261    618
   2898.84   7.254    168

in DMSO-d6