15084-51-2

對叔丁基苯磺酰氯(15084-51-2)核磁圖(¹HNMR)

產(chǎn)品名稱:對叔丁基苯磺酰氯

CAS:15084-51-2

分子式:C10H13ClO2S

分子量: 232.73

InChI:InChI=1S/C10H13ClO2S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3

InChIKey: YEZADZMMVHWFIY-UHFFFAOYSA-N

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

Mass

MS-KW-0269          
p-tert-butylbenzenesulfonyl chloride
C10H13ClO2S         (Mass of molecular ion:    232)

   Source Temperature: 140 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      27.0       2.1
      29.0       3.3
      39.0       4.7
      41.0       7.0
      50.0       2.7
      51.0       4.8
      52.0       1.2
      53.0       1.5
      55.0       2.0
      57.0       4.9
      57.5       2.6
      58.0       7.9
      59.0       1.4
      63.0       2.3
      64.0       1.1
      65.0       2.9
      74.0       1.0
      75.0       1.5
      76.0       2.2
      77.0       9.9
      78.0       3.1
      79.0       1.4
      89.0       2.3
      90.0       3.7
      90.5       1.5
      91.0      13.0
      92.0       1.3
      93.0       1.1
     102.0       2.0
     103.0       4.2
     105.0       3.9
     106.0       2.5
     115.0       6.5
     116.0       2.2
     117.0      10.5
     118.0      20.8
     119.0       2.5
     125.0       2.8
     127.0       1.0
     133.0      11.9
     134.0       3.1
     153.0       1.0
     166.0       1.2
     181.0       1.0
     189.0      11.7
     190.0       1.0
     191.0       4.5
     197.0      10.1
     198.0       1.3
     217.0     100.0
     218.0      11.0
     219.0      37.3
     220.0       4.0
     221.0       1.8
     232.0      15.1
     233.0       1.9
     234.0       5.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀H₁₃ClO₂S	0.041 g : 0.5 ml CDCl₃
p-tert-butylbenzenesulfonyl chloride

    Assign.     Shift(ppm)

     A           7.962
     B           7.628
     C           1.373

     Hz     ppm     Int.

   3190.31   7.981     16
   3187.87   7.975    102
   3185.92   7.970     36
   3181.04   7.957     37
   3178.96   7.952    114
   3176.76   7.947     16
   3056.04   7.645     18
   3053.59   7.639    108
   3051.64   7.634     36
   3046.76   7.622     34
   3044.80   7.617     95
   3042.49   7.611     14
    549.08   1.374   1000

in CDCl3