108-21-4

Isopropyl acetate (108-21-4) MS

Product NameIsopropyl acetate

CAS 108-21-4

Molecular FormulaC5H10O2

Molecular Weight102.13

InChIInChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3

InChIKey JMMWKPVZQRWMSS-UHFFFAOYSA-N

SmilesC(OC(C)C)(=O)C

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Isopropyl acetate (108-21-4) MS
Mass

MS-NW-1432          
isopropyl acetate
C5H10O2             (Mass of molecular ion:    102)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       1.0
      15.0       6.7
      27.0       6.7
      28.0       1.3
      29.0       1.1
      31.0       1.5
      39.0       4.2
      40.0       1.0
      41.0      12.1
      42.0       7.1
      43.0     100.0
      44.0       2.5
      45.0       3.6
      59.0      10.6
      61.0      23.7
      87.0      12.2

90 MHz in CDCl3

Isopropyl acetate (108-21-4) MS

¹H NMR	89.56 MHz
C₅ H₁₀ O₂	0.04 ml : 0.5 ml CDCl₃
isopropyl acetate

    Assign.     Shift(ppm)

      A             4.988
      B             2.017
      C             1.233

     Hz     ppm     Int.

    453.44   5.063     47
    447.13   4.993     64
    440.88   4.923     50
    180.63   2.017   1000
    113.50   1.268    842
    111.38   1.244     30
    107.25   1.198    818
    105.13   1.174     31

in CDCl3