628-63-7

乙酸戊酯(628-63-7)核磁图(¹HNMR)

产品名称:乙酸戊酯

CAS:628-63-7

分子式:C7H14O2

分子量: 130.18

InChI:InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3

InChIKey: PGMYKACGEOXYJE-UHFFFAOYSA-N

Smiles:C(OCCCCC)(=O)C

Mass

MS-NW-0059          
pentyl acetate
C7H14O2             (Mass of molecular ion:    130)

   Source Temperature: 230 °C
   Sample Temperature:  55 °C
   Reservoir, 75 eV

      15.0       3.8
      18.0       1.7
      27.0       9.6
      28.0       3.1
      29.0      14.3
      31.0       9.3
      39.0       6.8
      40.0       1.1
      41.0      23.2
      42.0      43.1
      43.0     100.0
      44.0       3.1
      45.0       1.8
      55.0      35.5
      56.0       5.0
      57.0       6.0
      58.0       3.8
      61.0      24.7
      69.0       8.4
      70.0      53.8
      71.0       3.6
      73.0      13.5
      87.0       1.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₄ O₂	0.04 ml : 0.5 ml CDCl₃
pentyl acetate

    Assign.     Shift(ppm)

      A             4.049
      B             2.040
      C             1.63
      D          1.52 to 1.14
      E             0.91

     Hz     ppm     Int.

    369.88   4.130     70
    363.31   4.057    181
    356.75   3.984    104
    182.75   2.041   1000
    146.38   1.635     41
    145.56   1.626     42
    139.88   1.562     39
    138.63   1.548     30
    127.56   1.425     30
    124.88   1.395     99
    122.00   1.363     83
    120.88   1.350     63
    119.69   1.337     68
    117.94   1.317     81
    116.94   1.306     69
    114.38   1.278     48
    110.75   1.237     41
     87.63   0.979     54
     87.00   0.972     56
     81.38   0.909    177
     75.38   0.842     42

in CDCl3