80-09-1

双酚S(80-09-1)质谱(MS)

产品名称:双酚S

CAS:80-09-1

分子式:C12H10O4S

分子量: 250.27

InChI:InChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H

InChIKey: VPWNQTHUCYMVMZ-UHFFFAOYSA-N

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

Mass

MS-NW-1165          
4,4'-sulfonyldiphenol
C12H10O4S           (Mass of molecular ion:    250)

   Source Temperature: 220 °C
   Sample Temperature: 210 °C
   Direct, 75 eV

      18.0       3.0
      27.0       3.4
      28.0       5.8
      29.0       1.1
      38.0       4.5
      39.0      31.4
      40.0       1.5
      45.0       2.8
      50.0       2.4
      51.0       3.5
      52.0       1.1
      53.0       5.8
      55.0       4.1
      62.0       3.5
      63.0      11.5
      64.0       5.4
      65.0      34.0
      66.0       3.8
      67.0       1.0
      69.0       1.3
      74.0       1.1
      75.0       1.4
      77.0       1.4
      81.0       9.8
      82.0       1.6
      85.0       3.6
      92.0       1.6
      93.0      31.9
      94.0      27.1
      95.0       2.1
      97.0       2.5
     109.0      22.8
     110.0      81.6
     111.0       5.5
     113.0       3.2
     115.0       1.2
     124.0       1.4
     125.0       3.2
     126.0       1.3
     127.0       1.5
     128.0       2.4
     129.0       1.0
     131.0       1.8
     139.0       1.2
     141.0      86.7
     142.0      51.8
     143.0       7.7
     144.0       2.7
     157.0       8.2
     158.0       1.0
     185.0       1.8
     186.0       4.9
     249.0       1.8
     250.0     100.0
     251.0      14.2
     252.0       6.1

400 MHz in DMSO-d6

90 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₂ H₁₀ O₄ S	0.036 g : 0.5 ml DMSO-d₆
4,4'-sulfonyldiphenol

    Assign.     Shift(ppm)

      A            10.6
      B             7.740
      C             6.934

     Hz     ppm     Int.

   4232.02  10.590    318
   3109.74   7.782     23
   3109.28   7.781     23
   3100.89   7.760    157
   3097.99   7.752    939
   3090.97   7.735    369
   3089.29   7.730    976
   2778.17   6.952    168
   2775.42   6.945   1000
   2773.74   6.941    382
   2768.55   6.928    387
   2766.72   6.923    941
   2763.52   6.915    207

¹H NMR	89.56 MHz
C₁₂ H₁₀ O₄ S	0.051 g : 0.5 ml DMSO-d₆
4,4'-sulfonyldiphenol

    Assign.     Shift(ppm)

      A            10.56
      B             7.739
      C             6.935

     Hz     ppm     Int.

    946.07  10.564    271
    701.29   7.831    107
    698.44   7.799    786
    696.46   7.777    263
    694.04   7.750    103
    691.63   7.723    309
    689.58   7.700   1000
    686.72   7.668    156
    681.45   7.609     26
    628.64   7.020    137
    625.78   6.988    979
    623.73   6.965    297
    621.17   6.936    101
    618.97   6.912    277
    616.92   6.889    787
    614.06   6.857    124
    609.81   6.809     31
    609.52   6.806     29
    609.08   6.801     25
    608.79   6.798     25

DMSO-d6