30414-53-0

3-氧代戊酸甲酯(30414-53-0)质谱(MS)

产品名称:3-氧代戊酸甲酯

CAS:30414-53-0

分子式:C6H10O3

分子量: 130.14

InChI:InChI=1S/C6H10O3/c1-3-5(7)4-6(8)9-2/h3-4H2,1-2H3

InChIKey: XJMIXEAZMCTAGH-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-6974          
methyl 3-oxovalerate
C6H10O3             (Mass of molecular ion:    130)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0      10.3
      26.0       1.5
      27.0       9.8
      28.0       4.9
      29.0      47.4
      30.0       1.3
      31.0       3.9
      32.0       1.8
      39.0       1.5
      41.0       2.4
      42.0      10.0
      43.0      14.8
      44.0       1.5
      45.0       1.0
      55.0       2.5
      56.0       4.7
      57.0     100.0
      58.0       4.0
      59.0      35.3
      69.0      16.6
      70.0       1.3
      74.0       2.9
      98.0       5.3
      99.0       9.7
     101.0      42.4
     102.0       2.2
     130.0      18.4
     131.0       1.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₀ O₃	0.05 ml : 0.5 ml CDCl₃
methyl 3-oxovalerate

    Assign.     Shift(ppm)

      A             3.734
      B             3.481
      C             2.587
      D             1.076

     Hz     ppm     Int.

   1497.57   3.748     35
   1492.44   3.735   1000
   1391.52   3.482    678
   1044.96   2.615    125
   1037.82   2.597    332
   1030.49   2.579    339
   1023.17   2.561    130
    437.40   1.095    436
    434.65   1.088     24
    430.07   1.077    685
    427.51   1.070     39
    426.23   1.067     22
    425.13   1.064     33
    422.75   1.058    413

in CDCl3