22381-54-0

2-(對甲苯磺酰)乙醇(22381-54-0)核磁圖(¹HNMR)

產(chǎn)品名稱:2-(對甲苯磺酰)乙醇

CAS:22381-54-0

分子式:C9H12O3S

分子量: 200.25

InChI:InChI=1S/C9H12O3S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5,10H,6-7H2,1H3

InChIKey: QJFIXBNLKARINT-UHFFFAOYSA-N

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

Mass

MS-IW-8982          
2-tosylethanol
C9H12O3S            (Mass of molecular ion:    200)

   Source Temperature: 130 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      17.0       2.1
      18.0      11.4
      19.0       1.5
      27.0       4.4
      28.0       2.5
      29.0       1.4
      39.0       8.9
      41.0       3.0
      43.0       2.5
      44.0       1.1
      45.0      13.4
      50.0       1.9
      51.0       4.0
      52.0       1.1
      62.0       1.6
      63.0       6.4
      64.0       1.8
      65.0      24.6
      66.0       1.5
      67.0       1.0
      77.0       5.6
      78.0       1.5
      79.0       5.4
      80.0       1.5
      89.0       6.5
      90.0       3.5
      91.0     100.0
      92.0      69.0
      93.0       6.7
     105.0       1.8
     107.0      17.5
     108.0       9.6
     111.0       1.0
     117.0       1.0
     118.0       1.7
     135.0       2.2
     139.0      24.4
     140.0       2.6
     141.0       1.2
     155.0      16.0
     156.0       6.4
     157.0       9.8
     158.0       1.0
     170.0       1.3
     172.0      14.2
     173.0       1.4
     182.0       8.8
     183.0       1.1
     200.0      13.0
     201.0       1.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₂ O₃ S	0.041 g : 0.5 ml CDCl₃
2-tosylethanol

    Assign.     Shift(ppm)

      A             7.807
      B             7.383
      C             3.973
      D             3.343
      E             2.458

     Hz     ppm     Int.

   3126.34   7.823     65
   3124.51   7.819    357
   3122.68   7.814    123
   3117.92   7.802    138
   3116.21   7.798    395
   3114.26   7.793     63
   2956.91   7.399     58
   2954.96   7.394    276
   2954.35   7.393    311
   2952.39   7.388     94
   2948.36   7.378    101
   2946.41   7.373    286
   2945.80   7.371    241
   2943.85   7.367     42
   1593.63   3.988    333
   1590.70   3.981     83
   1588.87   3.976    244
   1588.13   3.974    350
   1587.16   3.972    213
   1585.33   3.967     80
   1582.52   3.960    359
   1341.43   3.357    343
   1338.75   3.350     82
   1336.79   3.345    215
   1335.82   3.343    342
   1335.08   3.341    227
   1333.25   3.337     76
   1330.32   3.329    313
    982.42   2.459   1000

in CDCl3