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21020-27-9

甲基異丙基乙炔(21020-27-9)核磁图(1HNMR)

分子式:C6H10

分子量: 82.14

InChI:InChI=1S/C6H10/c1-4-5-6(2)3/h6H,1-3H3

InChIKey: SLMFWJQZLPEDDU-UHFFFAOYSA-N

Smiles:CC#CC(C)C

  • 图谱
    Mass

    MS-NW-4722          
    4-methyl-2-pentyne
    C6H10               (Mass of molecular ion:     82)
    

       Source Temperature: 210 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       4.3
          17.0       1.9
          18.0       9.2
          26.0       2.3
          27.0      12.8
          28.0       1.0
          29.0       3.9
          31.0       1.1
          32.0       1.6
          37.0       3.2
          38.0       5.4
          39.0      39.2
          40.0       8.5
          41.0      68.4
          42.0       6.9
          43.0      15.9
          44.0       1.7
          50.0       5.0
          51.0       7.4
          52.0       4.1
          53.0      13.1
          54.0       7.4
          55.0       5.9
          56.0       1.4
          57.0       1.4
          58.0       1.5
          61.0       1.7
          62.0       2.8
          63.0       5.3
          64.0       1.1
          65.0      20.6
          66.0       6.3
          67.0     100.0
          68.0       6.1
          70.0       1.8
          77.0       6.7
          78.0       1.1
          79.0      10.6
          80.0      11.7
          81.0      12.4
          82.0      49.1
          83.0      15.7
          84.0       1.0
          96.0       1.6
          98.0       1.1
    

400 MHz in CDCl3

  • 图谱

    1H NMR 399.65 MHz
    C6 H10 0.04 ml : 0.5 ml CDCl3
    4-methyl-2-pentyne
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.497 B 1.779 C 1.133

         Hz     ppm     Int.
    

       1006.84   2.520     26
       1004.52   2.514     29
       1000.00   2.503     36
        997.56   2.497     40
        995.24   2.491     22
        993.04   2.485     29
        990.72   2.479     30
        712.16   1.782    538
        709.84   1.777    533
        707.52   1.771     32
        456.30   1.142   1000
        449.34   1.125    921
        447.02   1.119     46
    

liquid film

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