Isoamyl acetate(123-92-2) MS

Product NameIsoamyl acetate

CAS 123-92-2

Molecular FormulaC7H14O2

Molecular Weight130.18

InChIInChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3

InChIKey MLFHJEHSLIIPHL-UHFFFAOYSA-N

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

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Isoamyl acetate(123-92-2) MS
Mass

MS-NW-0039          
isopentyl acetate
C7H14O2             (Mass of molecular ion:    130)

   Source Temperature: 220 °C
   Sample Temperature:  25 °C
   Reservoir, 75 eV

      15.0       3.8
      27.0       6.6
      28.0       2.1
      29.0       6.8
      31.0       1.3
      39.0       5.9
      41.0      13.8
      42.0      13.4
      43.0     100.0
      44.0       2.6
      45.0       2.2
      53.0       1.2
      54.0       1.1
      55.0      43.5
      56.0       4.2
      57.0       4.6
      58.0       2.2
      61.0      12.8
      69.0       6.1
      70.0      63.4
      71.0       4.2
      72.0       1.9
      73.0      13.9
      74.0       2.5
      85.0       1.5
      87.0      10.1
      88.0       1.8

400 MHz in CDCl3

Isoamyl acetate(123-92-2) MS

¹H NMR	399.65 MHz
C₇ H₁₄ O₂	0.05 ml : 0.5 ml CDCl₃
isopentyl acetate

    Assign.     Shift(ppm)

      A             4.095
      B             2.037
      C             1.693
      D             1.521
      E             0.926

     Hz     ppm     Int.

   1643.68   4.113    243
   1636.72   4.096    429
   1629.76   4.078    243
    819.34   2.051     47
    814.21   2.038    990
    690.92   1.729     39
    684.08   1.712     75
    677.37   1.695     96
    670.53   1.678     83
    663.94   1.662     49
    618.29   1.548    153
    611.45   1.530    379
    604.49   1.513    334
    597.66   1.496    120
    373.66   0.935   1000
    366.82   0.918    964

in CDCl3