2,6-二羥基甲苯(608-25-3)核磁圖(¹³CNMR)

產(chǎn)品名稱:2,6-二羥基甲苯

CAS:608-25-3

分子式:C7H8O2

分子量: 124.14

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

InChIKey: ZTMADXFOCUXMJE-UHFFFAOYSA-N

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

Mass

MS-NW-0135          
2,6-dihydroxytoluene
C7H8O2              (Mass of molecular ion:    124)

   Source Temperature: 150 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      26.0       1.1
      27.0       5.0
      29.0       1.8
      37.0       1.2
      38.0       3.1
      39.0      11.3
      40.0       2.6
      41.0       7.3
      43.0       2.9
      50.0       2.9
      51.0       7.3
      52.0       3.7
      53.0       3.1
      55.0       5.9
      62.0       2.5
      63.0       1.9
      65.0       4.2
      66.0       4.3
      67.0      10.0
      68.0       2.0
      69.0       5.8
      74.0       1.0
      77.0      10.7
      78.0      16.0
      79.0       3.3
      81.0       3.0
      82.0       1.1
      94.0       2.6
      95.0      19.0
      96.0       9.4
     105.0       8.3
     106.0      10.5
     107.0      10.0
     123.0      45.3
     124.0     100.0
     125.0       8.1
     138.0       1.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₈ O₂	0.046 g : 0.5 ml CDCl₃
2,6-dihydroxytoluene

    Assign.     Shift(ppm)

      A             2.139
      B             4.73
      C             6.39
      D             6.909

     Hz     ppm     Int.

    628.25   7.015     53
    627.69   7.009     56
    620.75   6.932     63
    620.38   6.927     82
    619.56   6.918     91
    618.94   6.911     81
    612.13   6.835    101
    611.56   6.829    108
    611.00   6.823     51
    575.81   6.430    378
    568.44   6.348    169
    568.00   6.343    219
    567.56   6.338    210
    567.19   6.334    165
    423.88   4.733    348
    421.00   4.701     52
    191.88   2.143   1000
    191.38   2.137    992

in CDCl3