M-CRESYL ACETATE(122-46-3) Raman

Product NameM-CRESYL ACETATE

CAS 122-46-3

Molecular FormulaC9H10O2

Molecular Weight150.17

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

InChIKey OTGAHJPFNKQGAE-UHFFFAOYSA-N

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

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Mass

MS-NW-3371          
m-tolyl acetate
C9H10O2             (Mass of molecular ion:    150)

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

      15.0       2.1
      27.0       2.0
      38.0       1.0
      39.0       4.2
      43.0      16.8
      50.0       1.7
      51.0       3.3
      52.0       1.9
      53.0       2.5
      63.0       1.7
      65.0       1.7
      77.0       8.4
      78.0       2.6
      79.0       7.7
      80.0       3.5
      90.0       4.4
      91.0       3.0
     107.0      33.2
     108.0     100.0
     109.0       7.8
     150.0      12.8
     151.0       1.3

90 MHz in CDCl3

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

    Assign.     Shift(ppm)

      A             7.25
      B     *1      7.03
      C             6.91
      D     *1      6.89
      E             2.34
      F             2.265

     Hz     ppm     Int.

    649.88   7.257     40
    641.38   7.162     62
    633.13   7.070     30
    632.31   7.061     46
    631.69   7.054     48
    630.88   7.045     39
    619.25   6.915     75
    618.69   6.909     87
    618.13   6.902     85
    617.63   6.897     82
    210.00   2.345    322
    209.50   2.340    300
    202.81   2.265   1000

in CDCl3