3'-甲基苯乙酮(585-74-0)核磁圖(¹HNMR)

產品名稱:3'-甲基苯乙酮

CAS:585-74-0

分子式:C9H10O

分子量: 134.18

InChI:InChI=1S/C9H10O/c1-7-4-3-5-9(6-7)8(2)10/h3-6H,1-2H3

InChIKey: FSPSELPMWGWDRY-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC=CC(C)=C1)C

Mass

MS-NW-3400          
3'-methylacetophenone
C9H10O              (Mass of molecular ion:    134)

   Source Temperature: 300 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.9
      27.0       1.5
      38.0       1.8
      39.0      10.0
      41.0       2.4
      43.0      11.7
      50.0       3.5
      51.0       5.9
      52.0       1.3
      61.0       1.3
      62.0       3.4
      63.0       8.5
      64.0       2.3
      65.0      18.9
      66.0       1.2
      74.0       1.5
      75.0       1.0
      77.0       2.5
      89.0       7.0
      90.0       3.8
      91.0      80.9
      92.0       7.0
     105.0       1.0
     119.0     100.0
     120.0       9.0
     134.0      37.2
     135.0       3.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₀ O	0.04 ml : 0.5 ml CDCl₃
3'-methylacetophenone

    Assign.     Shift(ppm)

      A             7.77
      B             7.75
      C             7.35
      D             7.34
      E             2.570
      F             2.40

     Hz     ppm     Int.

    697.50   7.789     35
    696.94   7.782     50
    696.25   7.775     46
    695.13   7.762     72
    694.38   7.754     81
    693.69   7.746     64
    693.25   7.741     60
    691.88   7.726     23
    689.81   7.703     29
    689.25   7.696     28
    660.13   7.371    139
    659.06   7.359     89
    657.13   7.338     48
    656.63   7.332     52
    655.50   7.320     35
    655.00   7.314     32
    653.69   7.299     72
    230.13   2.570   1000
    228.63   2.553     38
    214.63   2.397    374

in CDCl3