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1421-49-4

3,5-二叔丁基-4-羟基苯甲酸(1421-49-4)红外图谱(IR2)

分子式:C15H22O3

分子量: 250.33

InChI:InChI=1S/C15H22O3/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6/h7-8,16H,1-6H3,(H,17,18)

InChIKey: YEXOWHQZWLCHHD-UHFFFAOYSA-N

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

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    Mass

    MS-IW-7688          
    3,5-di-tert-butyl-4-hydroxybenzoic acid
    C15H22O3            (Mass of molecular ion:    250)
    

       Source Temperature: 170 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          29.0       1.2
          41.0       2.8
          55.0       1.7
          57.0       6.0
          77.0       1.1
          87.0       1.5
          91.0       2.2
          96.0       4.0
         107.0       1.1
         110.0       2.3
         115.0       1.6
         117.0       1.0
         128.0       1.0
         131.0       1.2
         175.0       3.8
         179.0       2.1
         191.0       3.0
         205.0       1.1
         207.0      15.0
         208.0       2.0
         219.0       2.6
         235.0     100.0
         236.0      15.5
         237.0       1.7
         250.0      23.4
         251.0       4.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C15 H22 O3 0.042 g : 0.5 ml CDCl3
    3,5-di-tert-butyl-4-hydroxybenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.987 B 5.71 C 1.473

         Hz     ppm     Int.
    

       3192.02   7.988    113
        588.62   1.473   1000
    

in CDCl3

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KBr disc

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nujol mull

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