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Back ChemicalBook Home>CAS DataBase List>2082-79-3More Spectrum> Antioxidant 1076(2082-79-3) 1H NMR

2082-79-3

Antioxidant 1076(2082-79-3) 1H NMR

Product NameAntioxidant 1076

CAS2082-79-3

Molecular FormulaC35H62O3

Molecular Weight530.86

InChIInChI=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

SmilesC1(CCC(OCCCCCCCCCCCCCCCCCC)=O)=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1

  • Antioxidant 1076(2082-79-3) <sup>1</sup>H NMR
    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

  • Antioxidant 1076(2082-79-3) <sup>1</sup>H NMR

    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

  • Antioxidant 1076(2082-79-3) <sup>1</sup>H NMR

KBr disc

  • Antioxidant 1076(2082-79-3) <sup>1</sup>H NMR

nujol mull

  • Antioxidant 1076(2082-79-3) <sup>1</sup>H NMR

  • Antioxidant 1076(2082-79-3) <sup>1</sup>H NMR

Antioxidant 1076(2082-79-3) 1H NMR Atlas of Related Products

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