O-TOLYL ACETATE(533-18-6) MS

Product NameO-TOLYL ACETATE

CAS 533-18-6

Molecular FormulaC9H10O2

Molecular Weight150.17

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

InChIKey AMZORBZSQRUXNC-UHFFFAOYSA-N

SmilesC(OC1=CC=CC=C1C)(=O)C

Request For Quotation

Mass

MS-NW-3407          
o-tolyl acetate
C9H10O2             (Mass of molecular ion:    150)

   Source Temperature: 290 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       2.4
      27.0       2.7
      38.0       1.4
      39.0       6.1
      42.0       1.1
      43.0      24.3
      50.0       3.3
      51.0       6.8
      52.0       4.1
      53.0       3.5
      62.0       1.0
      63.0       2.7
      65.0       2.2
      77.0      14.9
      78.0       5.3
      79.0       9.8
      80.0       6.5
      89.0       2.3
      90.0       9.4
      91.0       3.8
     107.0      32.7
     108.0     100.0
     109.0       7.9
     150.0      12.3
     151.0       1.3

90 MHz in CDCl3

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

    Assign.     Shift(ppm)

      A             7.22
      B             7.18
      C             7.11
      D             6.99
      E             2.284
      F             2.17

     Hz     ppm     Int.

    649.13   7.248     27
    648.38   7.240     33
    644.56   7.197    113
    642.50   7.174    165
    639.56   7.142    205
    636.56   7.108     54
    633.94   7.079     51
    629.75   7.032     86
    626.88   7.000     45
    624.94   6.978     31
    622.38   6.950     34
    204.56   2.285   1000
    194.06   2.167    619

in CDCl3