P-TOLYL ACETATE(140-39-6) ¹H NMR

Product NameP-TOLYL ACETATE

CAS 140-39-6

Molecular FormulaC9H10O2

Molecular Weight150.17

InChIInChI=1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3

InChIKey CDJJKTLOZJAGIZ-UHFFFAOYSA-N

SmilesC(OC1=CC=C(C)C=C1)(=O)C

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Mass

MS-NW-3364          
p-tolyl acetate
C9H10O2             (Mass of molecular ion:    150)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       2.0
      27.0       2.4
      39.0       2.8
      43.0      13.7
      50.0       1.9
      51.0       3.9
      52.0       2.4
      53.0       2.5
      63.0       1.4
      65.0       1.5
      77.0       8.4
      78.0       2.8
      79.0       6.0
      80.0       3.4
      90.0       4.2
      91.0       2.6
     107.0      41.5
     108.0     100.0
     109.0       7.8
     150.0      10.2
     151.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₀ O₂	0.04 ml : 0.5 ml CDCl₃
p-tolyl acetate

    Assign.     Shift(ppm)

      A             7.14
      B             6.96
      C             2.318
      D             2.250

     Hz     ppm     Int.

    646.19   7.216     44
    645.63   7.209     54
    645.06   7.203     61
    643.50   7.186     26
    643.38   7.184     26
    642.75   7.177     22
    639.19   7.138     30
    638.63   7.131     33
    636.75   7.110    140
    628.00   7.013     33
    625.81   6.988    209
    623.44   6.962     49
    619.38   6.916     29
    617.13   6.891     78
    207.63   2.319    423
    205.00   2.289     33
    201.50   2.250   1000

in CDCl3