606-28-0

邻苯甲酰苯甲酸甲酯(606-28-0)红外图谱(IR1)

产品名称:邻苯甲酰苯甲酸甲酯

CAS:606-28-0

分子式:C15H12O3

分子量: 240.25

InChI:InChI=1S/C15H12O3/c1-18-15(17)13-10-6-5-9-12(13)14(16)11-7-3-2-4-8-11/h2-10H,1H3

InChIKey: NQSMEZJWJJVYOI-UHFFFAOYSA-N

Smiles:C(OC)(=O)C1=CC=CC=C1C(=O)C1=CC=CC=C1

Mass

MS-NW-8574          
methyl o-benzoylbenzoate
C15H12O3            (Mass of molecular ion:    240)

   Source Temperature: 140 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      15.0       1.2
      18.0       1.8
      39.0       1.4
      50.0       6.3
      51.0      11.9
      63.0       1.5
      64.0       1.1
      74.0       2.0
      75.0       2.8
      76.0       8.8
      77.0      47.8
      78.0       3.6
      79.0       1.0
      92.0       4.9
     104.0       2.7
     105.0      62.9
     106.0       4.9
     120.0       1.3
     126.0       1.0
     127.0       1.0
     133.0       2.6
     135.0       3.3
     150.0       1.0
     151.0       3.6
     152.0      11.6
     153.0       4.6
     163.0     100.0
     164.0      10.0
     165.0       1.7
     180.0       2.0
     181.0       6.2
     182.0       1.0
     209.0      20.4
     210.0       4.0
     211.0       1.0
     212.0       1.3
     225.0       1.1
     240.0      44.5
     241.0       7.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₅ H₁₂ O₃	0.053 g : 0.5 ml CDCl₃
methyl o-benzoylbenzoate

    Assign.     Shift(ppm)

      A             8.045
      B             7.753
      C     *1      7.637
      D     *1      7.57
      E             7.54
      G             7.429
      J             7.413
      K             3.605

     Hz     ppm     Int.

   3220.21   8.058     60
   3219.73   8.057     67
   3218.87   8.055     67
   3218.38   8.053     59
   3212.52   8.039     67
   3212.04   8.038     73
   3211.18   8.035     71
   3210.57   8.034     64
   3102.91   7.765    107
   3102.29   7.763     95
   3101.68   7.761    135
   3100.46   7.758     55
   3096.56   7.749     39
   3094.60   7.744    152
   3093.26   7.740    130
   3061.52   7.661     34
   3060.18   7.658     38
   3054.08   7.642     95
   3052.73   7.639     93
   3046.63   7.624     72
   3045.17   7.620     66
   3033.20   7.590     60
   3031.74   7.586     70
   3025.39   7.571     82
   3024.05   7.567     95
   3017.94   7.552     59
   3016.48   7.548     85
   3016.11   7.547     89
   3010.01   7.532     36
   3008.67   7.529     63
   3007.32   7.525     32
   2976.07   7.447    102
   2974.61   7.444     44
   2969.36   7.430     90
   2968.26   7.428    140
   2966.43   7.423     93
   2965.94   7.422     83
   2964.97   7.419     79
   2964.48   7.418     72
   2962.65   7.414     33
   2960.94   7.409     74
   2960.21   7.408     53
   2958.98   7.404     67
   2958.37   7.403     68
   2957.52   7.401     63
   2957.03   7.400     57
   1440.80   3.606   1000

in CDCl3