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返回ChemicalBook首页>CAS数据库列表>6553-96-4更多图谱> 2,4,6-三异丙基苯磺酰氯(6553-96-4)红外图谱(IR1)

6553-96-4

2,4,6-三异丙基苯磺酰氯(6553-96-4)红外图谱(IR1)

分子式:C15H23ClO2S

分子量: 302.86

InChI:InChI=1S/C15H23ClO2S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3

InChIKey: JAPYIBBSTJFDAK-UHFFFAOYSA-N

Smiles:C1(S(Cl)(=O)=O)=C(C(C)C)C=C(C(C)C)C=C1C(C)C

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    Mass

    MS-NW-2334          
    2,4,6-triisopropylbenzenesulfonyl chloride
    C15H23ClO2S         (Mass of molecular ion:    302)
    

       Source Temperature: 280 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       2.4
          17.0       2.6
          18.0      12.0
          27.0      15.5
          28.0      15.1
          29.0       4.9
          32.0       3.3
          36.0       7.7
          38.0       2.5
          39.0      11.5
          40.0       1.3
          41.0      42.5
          42.0       2.0
          43.0      99.5
          44.0       4.5
          48.0      19.4
          50.0       1.6
          51.0       6.6
          52.0       1.8
          53.0       6.5
          55.0       5.0
          57.0       1.1
          58.0       1.0
          59.0       3.6
          62.0       1.0
          63.0       5.2
          64.0      44.2
          65.0       7.5
          66.0       2.1
          67.0       2.8
          69.0       1.9
          70.0       1.2
          70.5       1.0
          71.0       4.0
          72.0       2.3
          73.0       1.1
          74.0       1.2
          75.0       2.2
          76.0       2.8
          77.0      13.4
          78.0       4.6
          79.0       7.8
          79.5       1.1
          80.0       1.5
          81.0       1.1
          86.0       3.0
          87.0       3.7
          88.0       1.0
          89.0       2.8
          91.0      42.6
          92.0       4.1
          93.0       1.9
          93.5       1.1
          94.0       1.0
          96.0       1.0
         101.0       1.0
         102.0       2.5
         103.0       6.1
         104.0       2.8
         105.0      24.9
         106.0       2.4
         107.0       1.0
         115.0      21.0
         116.0       8.6
         117.0      39.5
         118.0       5.5
         119.0      14.1
         120.0       1.6
         123.0       1.2
         125.0       1.2
         127.0       6.2
         128.0      19.7
         129.0      17.3
         130.0       8.0
         131.0      20.7
         132.0       3.5
         133.0      12.0
         134.0       1.9
         135.0       2.2
         137.0       4.5
         139.0       2.5
         141.0       8.4
         142.0       5.8
         143.0       8.7
         144.0       3.7
         145.0      26.8
         146.0       4.7
         147.0       7.2
         148.0       1.5
         149.0      10.6
         150.0       1.6
         151.0       6.0
         152.0       2.1
         153.0       3.0
         154.0       1.2
         155.0       2.5
         156.0       1.9
         157.0       3.5
         158.0       1.7
         159.0      38.2
         160.0       7.5
         161.0      48.2
         162.0       7.0
         163.0       1.4
         165.0       2.1
         167.0       3.6
         169.0       1.4
         171.0       2.1
         172.0       1.0
         173.0      10.4
         174.0       2.5
         175.0      61.9
         176.0       9.9
         177.0       2.0
         179.0       2.6
         181.0       2.5
         183.0       1.0
         185.0       1.2
         187.0      78.0
         188.0      14.5
         189.0     100.0
         190.0      15.1
         191.0       3.0
         193.0       2.5
         195.0      19.0
         196.0       2.7
         197.0       6.6
         198.0       1.0
         201.0       2.1
         202.0      38.7
         203.0      19.1
         204.0      32.3
         205.0       7.0
         207.0       1.1
         209.0       1.8
         210.0       1.8
         211.0       1.0
         217.0       6.7
         218.0       7.4
         219.0       2.8
         221.0      16.1
         222.0       2.9
         223.0      66.1
         224.0      10.8
         225.0      22.1
         226.0       3.5
         231.0       1.5
         232.0       6.9
         233.0       2.8
         234.0       2.1
         235.0       2.2
         236.0      11.3
         237.0       2.6
         238.0      25.4
         239.0       5.9
         240.0       8.4
         241.0       3.2
         249.0       3.7
         251.0      17.1
         252.0       3.3
         253.0       1.7
         266.0       6.1
         267.0      72.1
         268.0      12.4
         269.0      16.6
         270.0       2.5
         282.0       6.3
         283.0       2.1
         284.0       6.2
         285.0       1.0
         298.0       1.1
         302.0       1.3
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C15 H23 Cl O2 S 0.051 g : 0.5 ml CDCl3
    2,4,6-triisopropylbenzenesulfonyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.227 B 4.239 C 2.94 D 1.315 E 1.273

         Hz     ppm     Int.
    

        647.25   7.228    244
        386.69   4.318     51
        379.94   4.243     71
        373.25   4.168     55
        366.63   4.094     23
        263.25   2.940     26
        256.38   2.863     22
        121.00   1.352   1000
        117.19   1.309    547
        114.31   1.277    951
        110.31   1.232    470
    

in CDCl3

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CCl4 solution

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KBr disc

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nujol mull

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