83863-63-2

二苯并呋喃-水合-2-二磺酸(83863-63-2)红外图谱(IR2)

产品名称:二苯并呋喃-水合-2-二磺酸

CAS:83863-63-2

分子式:C12H8O4S

分子量: 248.25

InChI:InChI=1S/C12H8O4S/c13-17(14,15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7H,(H,13,14,15)

InChIKey: JANFYPHFIPGYTQ-UHFFFAOYSA-N

Smiles:O1C2=CC=CC=C2C2=CC(S(O)(=O)=O)=CC=C12

Mass

MS-NW-6978          
2-dibenzofuransulfonic acid
C12H8O4S            (Mass of molecular ion:    248)

   Source Temperature: 190 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      17.0       1.2
      18.0       5.1
      39.0       2.1
      50.0       1.4
      51.0       1.6
      62.0       1.8
      63.0       4.7
      64.0       1.0
      69.5       5.4
      74.0       2.1
      75.0       2.6
      77.0       1.5
      86.0       2.6
      87.0       3.0
      88.0       1.4
      89.0       3.1
     101.0       1.5
     111.0       1.1
     113.0       4.1
     126.0       1.4
     127.0       4.9
     128.0       2.5
     137.0       2.4
     138.0       3.7
     139.0      27.3
     140.0       4.0
     155.0      14.7
     156.0       2.0
     166.0       2.0
     167.0      16.7
     168.0       4.2
     183.0       8.4
     184.0       5.9
     248.0     100.0
     249.0      14.7
     250.0       6.4

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₂ H₈ O₄ S	0.041 g : 0.5 ml DMSO-d₆
2-dibenzofuransulfonic acid

    Assign.     Shift(ppm)

      A             8.474
      B             8.261
      C             7.886
      D             7.74
      E             7.72
      F             7.573
      G             7.450

     Hz     ppm     Int.

   3387.45   8.477    587
   3386.11   8.473    617
   3306.15   8.273    325
   3305.54   8.272    346
   3302.12   8.263     35
   3301.64   8.262     35
   3298.46   8.254    357
   3297.85   8.252    358
   3157.59   7.901    299
   3155.88   7.897    302
   3152.83   7.889     30
   3152.47   7.889     30
   3149.05   7.880    381
   3147.34   7.876    394
   3098.51   7.754    428
   3095.21   7.745     47
   3094.36   7.743     50
   3090.82   7.734   1000
   3085.57   7.721     44
   3082.52   7.714    502
   3079.10   7.705     38
   3035.40   7.596    199
   3034.06   7.592    221
   3027.95   7.577    298
   3026.86   7.574    382
   3019.78   7.557    226
   3018.43   7.553    228
   2984.99   7.470    256
   2984.13   7.467    273
   2981.57   7.461     31
   2977.29   7.450    409
   2976.68   7.449    418
   2969.97   7.432    199
   2969.12   7.430    202

in D2O

in DMSO-d6