2024-88-6

双酚A双氯甲酸酯(2024-88-6)核磁图(¹HNMR)

产品名称:双酚A双氯甲酸酯

CAS:2024-88-6

分子式:C17H14Cl2O4

分子量: 353.2

InChI:InChI=1S/C17H14Cl2O4/c1-17(2,11-3-7-13(8-4-11)22-15(18)20)12-5-9-14(10-6-12)23-16(19)21/h3-10H,1-2H3

InChIKey: MMWCQWOKHLEYSP-UHFFFAOYSA-N

Smiles:C(C)(C)(C1C=CC(OC(Cl)=O)=CC=1)C1=CC=C(OC(Cl)=O)C=C1

Mass

MS-NW-9458          
isopropylidenedi(p-phenylene) bis(chloroformate)
C17H14Cl2O4         (Mass of molecular ion:    352)

   Source Temperature: 180 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       2.2
      39.0       1.3
      41.0       1.7
      51.0       1.1
      63.0       4.7
      65.0       2.2
      77.0       3.4
      89.0       1.4
      91.0       3.4
     102.0       1.7
     103.0       1.0
     115.0       4.8
     116.0       1.0
     117.0       1.2
     118.0       1.4
     125.0       1.0
     127.0       1.8
     128.0       2.5
     129.0       1.5
     134.0       1.2
     137.0       1.5
     139.0       2.0
     141.0       1.6
     151.0       1.3
     152.0       4.2
     153.0       5.5
     154.0       1.6
     155.0       3.8
     165.0       7.4
     166.0       5.4
     167.0       4.1
     168.0       1.3
     169.0       1.9
     176.0       1.2
     177.0       3.6
     178.0       7.1
     179.0       2.9
     181.0      11.4
     182.0       1.6
     183.0       5.8
     193.0       1.3
     194.0       2.7
     195.0       2.5
     197.0       9.8
     198.0       1.2
     199.0       3.3
     211.0       2.3
     257.0       1.4
     258.0       1.0
     259.0       1.9
     273.0      13.1
     274.0       9.3
     275.0       5.9
     276.0       3.2
     293.0       1.5
     295.0       1.0
     337.0     100.0
     338.0      17.7
     339.0      66.1
     340.0      11.6
     341.0      11.5
     342.0       1.9
     352.0      21.7
     353.0       4.1
     354.0      14.4
     355.0       2.6
     356.0       2.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₇ H₁₄ Cl₂ O₄	0.031 g : 0.5 ml CDCl₃
isopropylidenedi(p-phenylene) bis(chloroformate)

    Assign.     Shift(ppm)

      A             7.245
      B             7.123
      C             1.672

     Hz     ppm     Int.

   2903.69   7.266     36
   2900.76   7.259    344
   2898.68   7.254    323
   2894.04   7.242    135
   2891.72   7.236    476
   2888.92   7.229     65
   2853.27   7.140     59
   2850.46   7.133    495
   2848.14   7.127    139
   2843.63   7.116    116
   2841.43   7.110    347
   2838.50   7.103     40
    668.21   1.672   1000

in CDCl3