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2024-88-6

双酚A双氯甲酸酯(2024-88-6)核磁图(1HNMR)

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

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    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

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

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KBr disc

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nujol mull

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