Methoxypropiophenone(121-97-1) MS

Product NameMethoxypropiophenone

CAS 121-97-1

Molecular FormulaC10H12O2

Molecular Weight164.2

InChIInChI=1S/C10H12O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3

InChIKey ZJVAWPKTWVFKHG-UHFFFAOYSA-N

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

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Mass

MS-NW-8547          
4'-methoxypropiophenone
C10H12O2            (Mass of molecular ion:    164)

   Source Temperature: 250 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      27.0       2.6
      29.0       3.4
      38.0       1.7
      39.0       1.9
      50.0       3.0
      51.0       2.4
      53.0       1.0
      55.0       1.0
      57.0       1.0
      62.0       1.0
      63.0       5.1
      64.0       7.7
      65.0       1.5
      74.0       1.0
      75.0       1.0
      76.0       2.3
      77.0      21.1
      78.0       2.1
      79.0       1.8
      92.0      13.6
      93.0       1.1
     107.0      12.3
     108.0       1.1
     135.0     100.0
     136.0       8.8
     164.0      10.1
     165.0       1.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₂ O₂	0.05 ml : 0.5 ml CDCl₃
4'-methoxypropiophenone

    Assign.     Shift(ppm)

      A             7.922
      B             6.907
      C             3.830
      D             2.918
      E             1.198

     Hz     ppm     Int.

    717.13   8.008     34
    714.31   7.976    211
    712.13   7.952     75
    707.38   7.899     85
    705.25   7.875    247
    702.44   7.844     37
    625.44   6.984     41
    622.63   6.953    250
    620.50   6.929     80
    615.69   6.875     74
    613.63   6.852    197
    343.06   3.831   1000
    272.81   3.047     51
    265.31   2.963    189
    258.00   2.881    205
    250.94   2.802     67
    114.19   1.276    222
    107.06   1.196    442
     99.63   1.113    175

in CDCl3