603-80-5

2-甲基-3-羥基苯甲酸(603-80-5)質(zhì)譜(MS)

產(chǎn)品名稱(chēng):2-甲基-3-羥基苯甲酸

CAS:603-80-5

分子式:C8H8O3

分子量: 152.15

InChI:InChI=1S/C8H8O3/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,9H,1H3,(H,10,11)

InChIKey: RIERSGULWXEJKL-UHFFFAOYSA-N

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

Mass

MS-IW-8193          
3-hydroxy-o-toluic acid
C8H8O3              (Mass of molecular ion:    152)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      17.0       2.5
      18.0       8.1
      27.0       2.9
      28.0       2.7
      29.0       1.0
      37.0       1.1
      38.0       2.6
      39.0       7.5
      40.0       1.0
      41.0       1.8
      43.0       2.9
      44.0       1.1
      44.5       1.7
      45.0       1.3
      50.0       3.3
      51.0       7.1
      52.0       4.0
      52.5       1.3
      53.0       5.0
      53.5       1.6
      55.0       1.7
      61.0       1.0
      62.0       1.5
      63.0       2.5
      65.0       1.8
      66.0       1.2
      67.0       5.9
      67.5       1.6
      74.0       1.4
      75.0       1.2
      76.0       1.3
      77.0      16.9
      78.0      10.9
      79.0       9.7
      80.0       1.4
      89.0       1.0
      90.0       1.4
      95.0       1.3
     105.0       7.6
     106.0      41.0
     107.0      41.5
     108.0       4.0
     116.0       1.2
     133.0       1.6
     134.0      51.0
     135.0      16.2
     136.0       1.6
     151.0       3.7
     152.0     100.0
     153.0       8.9
     154.0       1.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₈ O₃	0.035 g : 0.5 ml DMSO-d₆
3-hydroxy-o-toluic acid

    Assign.     Shift(ppm)

      A            13.
      B             9.6
      C             7.205
      D             7.070
      E             6.983
      F             2.323

     Hz     ppm     Int.

   2884.74   7.219    105
   2883.67   7.216    117
   2877.04   7.199    147
   2875.97   7.197    151
   2833.88   7.091     82
   2826.40   7.073    172
   2818.71   7.053     99
   2818.28   7.052    101
   2794.77   6.994    144
   2793.71   6.991    156
   2786.65   6.973    102
   2785.59   6.971    102
    928.46   2.324   1000

in DMSO-d6