2,5-二羥基甲苯(95-71-6)核磁圖(¹HNMR)

產(chǎn)品名稱:2,5-二羥基甲苯

CAS:95-71-6

分子式:C7H8O2

分子量: 124.14

InChI:InChI=1S/C7H8O2/c1-5-4-6(8)2-3-7(5)9/h2-4,8-9H,1H3

InChIKey: CNHDIAIOKMXOLK-UHFFFAOYSA-N

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

Mass

MS-NW-4789          
2-methylhydroquinone
C7H8O2              (Mass of molecular ion:    124)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       1.7
      26.0       3.0
      27.0       5.4
      28.0       1.7
      29.0       2.5
      37.0       1.8
      38.0       3.6
      39.0      12.7
      40.0       4.8
      41.0       9.0
      43.0       3.4
      50.0       2.4
      51.0       6.3
      52.0       3.0
      53.0       4.6
      54.0       4.9
      55.0      10.4
      62.0       3.2
      63.0       1.7
      65.0       4.5
      66.0       6.4
      67.0      12.8
      68.0       2.5
      69.0       3.6
      77.0      11.5
      78.0      10.6
      79.0       3.2
      81.0       5.4
      82.0       3.2
      94.0       5.4
      95.0      20.9
      96.0       3.8
     105.0       5.2
     106.0       4.9
     107.0      11.2
     122.0       3.5
     123.0      39.9
     124.0     100.0
     125.0       8.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₈ O₂	0.040 g : 0.5 ml DMSO-d₆
2-methylhydroquinone

    Assign.     Shift(ppm)

      A     *1      8.53
      B     *1      8.47
      C             6.571
      D             6.494
      E             6.401
      F             2.051

     Hz     ppm     Int.

   3408.36   8.529    584
   3388.37   8.479    487
   2631.07   6.584    203
   2622.68   6.563    259
   2597.20   6.499    162
   2594.30   6.492    182
   2563.63   6.415    122
   2560.73   6.408    103
   2555.24   6.394     97
   2552.19   6.387     86
    819.70   2.052   1000

in DMSO-d6

in D2O