ChemicalBook
English   Japanese   Germany   Korea
返回ChemicalBook首页>CAS数据库列表>638-11-9更多图谱> 丁酸异丙基酯(638-11-9)质谱(MS)

638-11-9

丁酸异丙基酯(638-11-9)质谱(MS)

产品名称:丁酸异丙基酯

CAS:638-11-9

分子式:C7H14O2

分子量: 130.18

InChI:InChI=1S/C7H14O2/c1-4-5-7(8)9-6(2)3/h6H,4-5H2,1-3H3

InChIKey: FFOPEPMHKILNIT-UHFFFAOYSA-N

Smiles:C(OC(C)C)(=O)CCC

  • 图谱
    Mass

    MS2015-05128CW      
    isopropyl butyrate
    C7H14O2             (Mass of molecular ion:    130)
    

       Source Temperature: 250 °C
       Sample Temperature: 250 °C
       Reservoir, 70 eV
    

          15.0       1.4
          26.0       1.5
          27.0      13.2
          29.0       1.5
          31.0       1.0
          32.0       5.0
          37.0       1.7
          38.0       3.0
          39.0      16.1
          40.0       4.2
          41.0      35.2
          42.0      14.4
          43.0      90.4
          44.0       3.4
          45.0       2.9
          55.0       2.1
          59.0      15.3
          60.0      17.8
          71.0     100.0
          72.0       4.9
          73.0      11.9
          88.0      18.7
          89.0      45.2
          90.0       2.3
         102.0       5.2
         115.0      13.4
    

90 MHz in CDCl3

in CDCl3

  • 图谱

    1H NMR 89.56 MHz
    C7 H14 O2 0.04 ml : 0.5 ml CDCl3
    isopropyl butyrate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.011 B 2.238 C 1.645 D 1.229 E 0.951

         Hz     ppm     Int.
    

        455.06   5.082     53
        448.75   5.011     71
        442.50   4.941     56
        209.19   2.336     53
        208.00   2.323     61
        201.56   2.251     99
        201.06   2.245    116
        194.44   2.172     94
        193.69   2.163    105
        158.19   1.767     34
        151.25   1.689     72
        150.13   1.677     39
        144.25   1.611     50
        143.44   1.602     46
        142.94   1.597     59
        136.38   1.523     43
        135.81   1.517     33
        113.19   1.264   1000
        111.00   1.240     30
        106.88   1.194    951
         92.19   1.030     73
         91.44   1.021    138
         84.56   0.945    283
         83.94   0.938    148
         77.88   0.870     47
         76.94   0.860     81
         75.94   0.848     42
    

  • 图谱

in CDCl3

  • 图谱

CCl4 solution

  • 图谱

liquid film

  • 图谱

4880 A,200 M,liquid

  • 图谱

×