744-45-6

間苯二甲酸二苯酯(744-45-6)紅外圖譜(IR1)

產(chǎn)品名稱:間苯二甲酸二苯酯

CAS:744-45-6

分子式:C20H14O4

分子量: 318.32

InChI:InChI=1S/C20H14O4/c21-19(23-17-10-3-1-4-11-17)15-8-7-9-16(14-15)20(22)24-18-12-5-2-6-13-18/h1-14H

InChIKey: FHESUNXRPBHDQM-UHFFFAOYSA-N

Smiles:C1(C(OC2=CC=CC=C2)=O)=CC=CC(C(OC2=CC=CC=C2)=O)=C1

Mass

MS-IW-2679          
diphenyl isophthalate
C20H14O4            (Mass of molecular ion:    318)

   Source Temperature: 150 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      39.0       2.0
      50.0       2.2
      51.0       1.0
      65.0       2.3
      75.0       1.7
      76.0      16.2
      77.0       2.8
      94.0       1.1
     104.0      16.1
     105.0       1.7
     115.0       2.5
     141.0       7.1
     169.0       2.2
     225.0     100.0
     226.0      15.6
     227.0       1.7
     318.0      12.2
     319.0       2.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₀ H₁₄ O₄	0.046 g : 0.5 ml CDCl₃
diphenyl isophthalate

    Assign.     Shift(ppm)

      A             9.027
      B             8.454
      C             7.668
      D             7.438
      E             7.287
      F             7.243

     Hz     ppm     Int.

   3609.38   9.032    231
   3607.67   9.028    410
   3606.20   9.024    242
   3383.79   8.467    538
   3382.08   8.463    532
   3379.15   8.456     43
   3375.98   8.448    561
   3374.27   8.444    566
   3072.27   7.688    193
   3064.58   7.669    362
   3056.64   7.649    179
   2983.89   7.467     87
   2981.69   7.461    435
   2979.74   7.456    204
   2976.56   7.448    149
   2974.24   7.443    817
   2973.39   7.440    803
   2967.65   7.426    284
   2965.82   7.422    746
   2963.62   7.416    126
   2920.29   7.308    184
   2919.19   7.305    356
   2918.21   7.302    250
   2913.21   7.290    187
   2911.74   7.286    537
   2910.28   7.283    220
   2905.40   7.270    148
   2904.30   7.268    255
   2903.20   7.265    191
   2899.78   7.256    825
   2898.56   7.253   1000
   2896.48   7.248    291
   2892.09   7.237    463
   2891.11   7.235    815
   2889.89   7.232    899
   2887.70   7.226    116

in CDCl3