Ethyl pivaloylacetate(17094-34-7) MS

Product NameEthyl pivaloylacetate

CAS 17094-34-7

Molecular FormulaC9H16O3

Molecular Weight172.22

InChIInChI=1S/C9H16O3/c1-5-12-8(11)6-7(10)9(2,3)4/h5-6H2,1-4H3

InChIKey VUYNTIDSHCJIKF-UHFFFAOYSA-N

SmilesC(OCC)(=O)CC(=O)C(C)(C)C

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-9405          
ethyl 4,4-dimethyl-3-oxovalerate
C9H16O3             (Mass of molecular ion:    172)

   Source Temperature: 260 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       1.5
      27.0       7.0
      28.0       2.8
      29.0      31.6
      31.0       5.3
      39.0       5.8
      40.0       1.1
      41.0      33.0
      42.0       5.3
      43.0      11.0
      44.0       1.5
      45.0       5.4
      46.0       1.0
      55.0       2.9
      56.0       5.7
      57.0     100.0
      58.0       4.6
      59.0       1.0
      60.0       9.7
      61.0       7.7
      69.0       9.8
      70.0       7.7
      71.0       2.0
      83.0       1.3
      85.0      11.1
      87.0      17.2
      88.0      29.1
      89.0       2.0
     111.0       3.2
     115.0      16.6
     116.0       1.0
     117.0       3.2
     127.0       2.1
     144.0       6.4
     172.0       1.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₆ O₃	0.05 ml : 0.5 ml CDCl₃
ethyl 4,4-dimethyl-3-oxovalerate

    Assign.     Shift(ppm)

      A             4.187
      B             3.558
      C             1.274
      D             1.178

     Hz     ppm     Int.

   1684.33   4.215     58
   1677.12   4.197    174
   1669.92   4.179    179
   1662.84   4.161     64
   1422.00   3.559    423
    516.36   1.293    196
    509.16   1.275    360
    502.08   1.257    186
    470.83   1.179   1000

in CDCl3