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2082-79-3

抗氧剂1076(2082-79-3)核磁图(13CNMR)

产品名称:抗氧剂1076

CAS:2082-79-3

分子式:C35H62O3

分子量: 530.86

InChI:InChI=1S/C35H62O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-38-32(36)25-24-29-27-30(34(2,3)4)33(37)31(28-29)35(5,6)7/h27-28,37H,8-26H2,1-7H3

InChIKey: SSDSCDGVMJFTEQ-UHFFFAOYSA-N

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

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    Mass

    MS-IW-6347          
    octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
    C35H62O3            (Mass of molecular ion:    530)
    

       Source Temperature: 180 °C
       Sample Temperature: 170 °C
       Direct, 75 eV
    

          17.0       1.1
          18.0       5.5
          27.0       1.6
          28.0       1.5
          29.0       4.7
          39.0       3.1
          41.0      18.2
          42.0       2.5
          43.0      22.2
          53.0       1.1
          54.0       1.5
          55.0      23.2
          56.0      10.7
          57.0      56.7
          58.0       2.6
          67.0       2.9
          68.0       2.0
          69.0      17.5
          70.0       6.6
          71.0      11.9
          81.0       2.3
          82.0       3.0
          83.0      15.3
          84.0       4.6
          85.0       6.9
          91.0       1.4
          95.0       1.7
          96.0       1.9
          97.0      13.2
          98.0       3.1
          99.0       1.5
         105.0       1.0
         107.0       2.3
         110.0       1.0
         111.0       6.9
         112.0       2.1
         119.0       1.1
         120.0       1.0
         121.0       1.4
         125.0       3.3
         126.0       1.5
         129.0       1.2
         131.0       1.0
         133.0       1.4
         139.0       1.4
         143.0       1.1
         145.0       1.2
         147.0      14.8
         148.0       2.4
         149.0       8.5
         150.0       1.4
         159.0       1.2
         161.0       7.0
         162.0       1.1
         163.0       6.1
         167.0       4.1
         175.0       1.9
         176.0       1.7
         177.0       1.2
         179.0       2.3
         185.0       1.6
         187.0       3.2
         189.0      10.1
         190.0       1.4
         191.0       1.9
         201.0       1.5
         203.0      11.8
         204.0       2.3
         205.0       5.0
         206.0       1.4
         207.0       4.5
         217.0       5.6
         218.0       1.3
         219.0      30.9
         220.0       5.3
         221.0       2.0
         222.0       1.8
         232.0       7.0
         233.0       3.0
         235.0       1.3
         245.0       2.5
         252.0       2.0
         260.0       1.1
         261.0       1.1
         263.0       5.0
         277.0       2.0
         278.0       7.7
         279.0       1.4
         459.0       1.9
         474.0       3.7
         475.0       1.3
         515.0      48.9
         516.0      18.4
         517.0       3.3
         530.0     100.0
         531.0      38.4
         532.0       8.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C35 H62 O3 0.039 g : 0.5 ml CDCl3
    octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.995 B 5.07 C 4.070 D 2.868 E 2.595 F 1.611 G 1.428 J 1.30 K 1.26 L 0.878

         Hz     ppm     Int.
    

       2795.78   6.996    109
       2026.98   5.072     70
       1633.67   4.088     26
       1626.83   4.071     57
       1620.00   4.054     28
       1147.46   2.872     27
       1138.92   2.850     24
       1044.68   2.614     29
       1036.25   2.593     31
       1028.69   2.574     22
        570.68   1.428   1000
        519.78   1.301     39
        512.33   1.282     37
        501.83   1.256    657
        358.28   0.897     26
        351.56   0.880     85
        344.48   0.862     32
    

in CDCl3

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KBr disc

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nujol mull

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