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65016-61-7

3-庚基硫砜(65016-61-7)红外图谱(IR1)

产品名称:3-庚基硫砜

CAS:65016-61-7

分子式:C11H18S

分子量: 182.33

InChI:InChI=1S/C11H18S/c1-2-3-4-5-6-7-11-8-9-12-10-11/h8-10H,2-7H2,1H3

InChIKey: IUUMHORDQCAXQU-UHFFFAOYSA-N

Smiles:C1SC=CC=1CCCCCCC

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    Mass

    MS-IW-1783          
    3-heptylthiophene
    C11H18S             (Mass of molecular ion:    182)
    

       Source Temperature: 250 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          27.0       3.8
          29.0       4.0
          39.0       4.0
          41.0       6.2
          43.0       5.9
          45.0       6.4
          53.0       4.0
          55.0       2.1
          57.0       3.8
          65.0       1.0
          67.0       1.3
          71.0       2.4
          77.0       1.7
          84.0       1.9
          85.0       4.0
          97.0      63.0
          98.0     100.0
          99.0      10.1
         100.0       4.9
         110.0       1.4
         111.0      18.9
         112.0       2.3
         113.0       1.1
         125.0       1.2
         139.0       2.2
         140.0       1.6
         182.0      22.8
         183.0       3.0
         184.0       1.2
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C11 H18 S 0.05 ml : 0.5 ml CDCl3
    3-heptylthiophene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.192 B 6.909 C 6.883 D 2.604 E 1.803 F 1.31 G 1.27 J 0.879

         Hz     ppm     Int.
    

       2878.66   7.203    256
       2875.73   7.196    279
       2873.78   7.191    290
       2870.73   7.184    296
       2764.53   6.918    269
       2763.18   6.915    331
       2759.52   6.905    251
       2758.30   6.902    313
       2753.91   6.891    148
       2752.93   6.889    290
       2751.83   6.886    278
       2750.85   6.884    250
       2750.00   6.882    302
       2748.90   6.879    263
       2747.92   6.876    145
       1048.58   2.624    281
       1041.02   2.605    389
       1033.08   2.585    308
        657.10   1.645     46
        655.52   1.641     40
        649.66   1.626    144
        642.09   1.607    200
        638.06   1.597    118
        634.64   1.588    158
        627.20   1.570     63
        532.35   1.333    201
        528.56   1.323    345
        524.90   1.314    503
        520.87   1.304    529
        518.43   1.298    493
        514.28   1.287    379
        508.79   1.274    465
        503.54   1.260    661
        488.53   1.223     42
        488.28   1.222     42
        358.40   0.897    350
        351.56   0.880   1000
        344.48   0.862    421
    

in CDCl3

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liquid film

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