ETHYL TERT-BUTYLACETATE(5340-78-3) MS

Product NameETHYL TERT-BUTYLACETATE

CAS 5340-78-3

Molecular FormulaC8H16O2

Molecular Weight144.21

InChIInChI=1S/C8H16O2/c1-5-10-7(9)6-8(2,3)4/h5-6H2,1-4H3

InChIKey JWMNHAMYTBAUPI-UHFFFAOYSA-N

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

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-4037          
ethyl 3,3-dimethylbutyrate
C8H16O2             (Mass of molecular ion:    144)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       7.7
      28.0       2.3
      29.0      36.2
      39.0       6.0
      40.0       1.0
      41.0      24.6
      42.0       3.4
      43.0      21.0
      45.0       6.7
      53.0       1.5
      55.0      14.8
      56.0       7.5
      57.0      88.1
      58.0       4.6
      59.0      25.4
      60.0      27.1
      61.0      19.6
      69.0       1.5
      70.0      20.6
      71.0       8.8
      73.0       1.9
      83.0      13.6
      87.0      40.4
      88.0     100.0
      89.0       5.8
      99.0      47.6
     100.0       3.4
     101.0       1.1
     129.0       7.5
     144.0       1.3
     145.0       1.3

parameter in CDCl3

¹H NMR	300 MHz
C₈ H₁₆ O₂	0.05 ml : 0.5 ml CDCl₃
ethyl 3,3-dimethylbutyrate

    Parameter     ppm  Hz

      D(A)         4.120
      D(C)         1.258
       J(A,C)          7.1
     
      D(B)         2.186
     
      D(D)         1.031

     Hz     ppm     Int.

   1246.71   4.156     27
   1239.61   4.132     82
   1232.50   4.108     83
   1225.40   4.085     28
    655.80   2.186    222
    384.47   1.282     84
    377.40   1.258    166
    370.29   1.234     82
    309.29   1.031   1000

in CDCl3