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5613-46-7

四甲基双酚A(5613-46-7)核磁图(1HNMR)

产品名称:四甲基双酚A

CAS:5613-46-7

分子式:C19H24O2

分子量: 284.39

InChI:InChI=1S/C19H24O2/c1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16/h7-10,20-21H,1-6H3

InChIKey: ODJUOZPKKHIEOZ-UHFFFAOYSA-N

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

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    Mass

    MS-IW-4042          
    4,4'-isopropylidenebis(2,6-dimethylphenol)
    C19H24O2            (Mass of molecular ion:    284)
    

       Source Temperature: 160 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          41.0       1.3
          77.0       1.6
          91.0       2.5
         104.0       1.0
         105.0       1.2
         118.0       1.0
         119.0       2.1
         119.5       1.9
         121.0       1.2
         127.0       3.8
         131.0       1.0
         132.0       1.6
         134.5       1.7
         135.0       2.2
         142.0       2.7
         147.0      16.0
         148.0       2.3
         161.0       1.0
         162.0       1.0
         163.0       3.0
         210.0       1.1
         225.0       1.0
         239.0       1.0
         253.0       1.4
         268.0       1.3
         269.0     100.0
         270.0      19.8
         271.0       2.2
         283.0       1.0
         284.0      26.1
         285.0       5.5
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C19 H24 O2 0.033 g : 0.5 ml CDCl3
    4,4'-isopropylidenebis(2,6-dimethylphenol)
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.821 B 4.42 C 2.184 D 1.580

         Hz     ppm     Int.
    

       2725.95   6.821    267
       1767.94   4.424    256
        873.05   2.185   1000
        631.47   1.581    615
    

in CDCl3

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KBr disc

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nujol mull

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