92-05-7

聯(lián)苯-3,4-二醇(92-05-7)質(zhì)譜(MS)

產(chǎn)品名稱:聯(lián)苯-3,4-二醇

CAS:92-05-7

分子式:C12H10O2

分子量: 186.21

InChI:InChI=1S/C12H10O2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8,13-14H

InChIKey: QDNPCYCBQFHNJC-UHFFFAOYSA-N

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

Mass

MS-IW-3860          
4-phenylpyrocatechol
C12H10O2            (Mass of molecular ion:    186)

   Source Temperature: 150 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       1.5
      39.0       1.0
      50.0       1.1
      51.0       2.7
      62.0       1.1
      63.0       2.1
      64.0       1.4
      69.0       1.5
      69.5       2.7
      70.0       3.6
      74.0       1.0
      75.0       1.2
      77.0       2.1
      78.0       1.2
      89.0       1.2
      93.0       5.1
     102.0       1.4
     113.0       1.0
     114.0       1.4
     115.0       2.3
     127.0       2.2
     128.0       4.4
     129.0       2.2
     138.0       1.1
     139.0      20.9
     140.0      13.8
     141.0       2.0
     157.0       4.2
     168.0       1.1
     170.0       1.8
     185.0       2.5
     186.0     100.0
     187.0      13.2
     188.0       1.2
     220.0       2.8

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₂ H₁₀ O₂	0.035 g : 0.5 ml DMSO-d₆
4-phenylpyrocatechol

    Assign.     Shift(ppm)

      A     *1      9.08
      B     *1      9.05
      C             7.527
      D             7.394
      E             7.263
      F             7.069
      G             6.947
      J             6.847
     
     J(F,G)=2.3HZ
     J(G,J)=8.2HZ

     Hz     ppm     Int.

   3628.91   9.081    315
   3617.31   9.052    307
   3013.67   7.541    567
   3012.45   7.538    712
   3010.38   7.533    224
   3005.25   7.520    908
   3004.03   7.517    792
   3002.20   7.513    161
   2998.66   7.504     42
   2976.32   7.448     35
   2967.53   7.426     42
   2963.01   7.415    531
   2961.06   7.410    187
   2959.35   7.405     74
   2955.57   7.396    861
   2949.22   7.380    225
   2947.63   7.376    517
   2945.80   7.371    107
   2936.77   7.349     37
   2910.52   7.283    178
   2909.30   7.280    331
   2907.96   7.277    196
   2905.52   7.271     37
   2903.69   7.266    167
   2901.86   7.262    463
   2900.15   7.257    162
   2895.75   7.246    120
   2894.53   7.243    201
   2893.31   7.240    114
   2826.29   7.072    795
   2823.97   7.067    863
   2782.59   6.963    408
   2780.27   6.957    361
   2774.41   6.943    572
   2772.09   6.937    546
   2739.99   6.856   1000
   2731.81   6.836    713
   2729.37   6.830     56

in DMSO-d6