24677-78-9

2,3-二羥基苯甲醛(24677-78-9)核磁圖(¹HNMR)

產(chǎn)品名稱:2,3-二羥基苯甲醛

CAS:24677-78-9

分子式:C7H6O3

分子量: 138.12

InChI:InChI=1S/C7H6O3/c8-4-5-2-1-3-6(9)7(5)10/h1-4,9-10H

InChIKey: IXWOUPGDGMCKGT-UHFFFAOYSA-N

Smiles:C(=O)C1=CC=CC(O)=C1O

Mass

MS-NW-2388          
2,3-dihydroxybenzaldehyde
C7H6O3              (Mass of molecular ion:    138)

   Source Temperature: 270 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       1.0
      26.0       1.9
      27.0       7.9
      28.0       2.5
      29.0       5.2
      37.0       2.1
      38.0       3.7
      39.0       6.1
      46.0       1.3
      49.0       1.5
      50.0       4.7
      51.0       5.9
      52.0       4.6
      53.0       8.0
      54.0       1.9
      55.0       9.5
      61.0       1.3
      62.0       2.7
      63.0      12.0
      64.0      12.8
      65.0       1.7
      69.0       1.7
      79.0       1.7
      80.0       1.5
      81.0      19.3
      82.0       2.5
      91.0       2.3
      92.0      23.5
      93.0       1.9
     107.0       2.6
     108.0       2.5
     109.0      10.4
     110.0       4.5
     119.0       1.2
     120.0      14.7
     121.0       1.3
     136.0       2.9
     137.0      69.5
     138.0     100.0
     139.0       7.8
     151.0       1.1
     152.0       2.7

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₆ O₃	0.049 g : 0.5 ml CDCl₃
2,3-dihydroxybenzaldehyde

    Assign.     Shift(ppm)

      A     *1     11.09
      B             9.877
      C             7.18
      D             7.13
      E             6.951
      F     *1      5.89

     Hz     ppm     Int.

    993.09  11.089    267
    992.46  11.082    282
    884.63   9.878   1000
    649.52   7.253     61
    648.89   7.246     65
    647.46   7.230     74
    646.91   7.224     75
    644.76   7.200    104
    642.70   7.177    177
    641.75   7.166     79
    640.16   7.148    184
    639.69   7.143    192
    636.75   7.110    418
    634.69   7.087    140
    627.47   7.007    378
    624.61   6.975     22
    620.25   6.926    188
    619.45   6.917    145
    612.23   6.836     99
    526.86   5.883     90

¹H NMR	399.65 MHz
C₇ H₆ O₃	0.049 g : 0.5 ml CDCl₃
2,3-dihydroxybenzaldehyde

    Assign.     Shift(ppm)

      A            11.10
      B             9.886
      C             7.193
      D             7.145
      E             6.947
      F             5.84
     
     J(C,E)=7.7HZ. J(C,D)=1.5HZ. J(D,E)=7.7HZ. J(A,C)=0.6HZ.

     Hz     ppm     Int.

   4434.66  11.097    560
   3950.96   9.887   1000
   2880.10   7.207    164
   2879.33   7.205    174
   2878.57   7.203    183
   2877.96   7.202    156
   2875.67   7.196     27
   2872.16   7.187    192
   2871.55   7.186    210
   2870.79   7.184    219
   2870.03   7.182    192
   2860.57   7.158    259
   2859.04   7.154    225
   2852.78   7.139    327
   2851.26   7.135    262
   2786.10   6.972     24
   2783.51   6.965    279
   2775.57   6.946    465
   2767.79   6.926    206
   2335.51   5.844    164

in CDCl3