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625-55-8

甲酸異丙酯(625-55-8)質(zhì)譜(MS)

產(chǎn)品名稱:甲酸異丙酯

CAS:625-55-8

分子式:C4H8O2

分子量: 88.11

InChI:InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3

InChIKey: RMOUBSOVHSONPZ-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-NW-4347          
isopropyl formate
C4H8O2              (Mass of molecular ion:     88)


       Source Temperature: 220 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV


          15.0       3.7
      18.0       1.1
      19.0       3.2
      26.0       1.9
      27.0      19.8
      28.0       5.2
      29.0      10.8
      31.0       4.6
      32.0       1.0
      37.0       1.1
      38.0       2.5
      39.0      11.1
      40.0       2.8
      41.0      29.8
      42.0      36.3
      43.0      30.1
      44.0       1.4
      45.0     100.0
      46.0       2.4
      47.0       5.8
      59.0       5.5
      73.0      16.6

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C4 H8 O2 0.05 ml : 0.5 ml CDCl3
    isopropyl formate
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             8.016
      B             5.136
      C             1.284
  

         Hz     ppm     Int.


       3204.10   8.018    292
   3203.61   8.017    298
   2065.55   5.169     45
   2064.58   5.166     44
   2059.33   5.153    109
   2058.35   5.151    103
   2052.98   5.137    140
   2052.00   5.135    135
   2046.75   5.122    109
   2045.78   5.119    104
   2040.53   5.106     46
   2039.43   5.104     44
    516.48   1.293   1000
    510.13   1.277    930
    509.40   1.275    833
    500.12   1.252     25

in CDCl3

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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