2050-01-3

異丁酸異戊酯(2050-01-3)核磁圖(¹HNMR)

產(chǎn)品名稱:異丁酸異戊酯

CAS:2050-01-3

分子式:C9H18O2

分子量: 158.24

InChI:InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3

InChIKey: VFTGLSWXJMRZNB-UHFFFAOYSA-N

Smiles:C(OCCC(C)C)(=O)C(C)C

Mass

MS-NW-5747          
isopentyl isobutyrate
C9H18O2             (Mass of molecular ion:    158)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.4
      27.0      11.9
      28.0       3.1
      29.0       8.0
      31.0       1.3
      39.0       6.5
      40.0       1.7
      41.0      19.3
      42.0      11.7
      43.0     100.0
      44.0       3.9
      45.0       1.8
      55.0      23.9
      56.0       2.5
      57.0       3.6
      58.0       1.0
      59.0       3.7
      69.0       4.1
      70.0      59.1
      71.0      64.1
      72.0       3.2
      73.0       1.6
      85.0       2.2
      88.0       1.7
      89.0      11.3
     101.0       2.7
     115.0       2.9

in CDCl3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₈ O₂	0.04 ml : 0.5 ml CDCl₃
isopentyl isobutyrate

    Assign.     Shift(ppm)

      A             4.097
      B             2.52
      C             1.71
      D             1.53
      E             1.16
      F             0.93

     Hz     ppm     Int.

    373.63   4.172    132
    366.81   4.096    225
    360.38   4.024    129
    233.56   2.608     48
    228.38   2.551     33
    226.50   2.530     64
    221.56   2.474     32
    219.63   2.453     59
    212.81   2.377     32
    147.13   1.643     37
    145.31   1.623     73
    143.81   1.606     65
    141.31   1.578     44
    140.69   1.571     40
    138.69   1.549    137
    135.44   1.513     31
    133.25   1.488     98
    132.19   1.476    186
    126.25   1.410     34
    124.94   1.396     35
    112.06   1.252     65
    108.19   1.209    470
    107.31   1.199   1000
    102.81   1.148     47
    100.38   1.121    840
     85.75   0.958    836
     79.75   0.891    622

in CDCl3