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Back ChemicalBook Home>CAS DataBase List>2215-21-6More Spectrum> 3,5-DIISOPROPYLSALICYLIC ACID(2215-21-6) Raman

2215-21-6

3,5-DIISOPROPYLSALICYLIC ACID(2215-21-6) Raman

Molecular FormulaC13H18O3

Molecular Weight222.28

InChIInChI=1S/C13H18O3/c1-7(2)9-5-10(8(3)4)12(14)11(6-9)13(15)16/h5-8,14H,1-4H3,(H,15,16)

InChIKey XUFUYOGWFZSHGE-UHFFFAOYSA-N

SmilesC(O)(=O)C1=CC(C(C)C)=CC(C(C)C)=C1O

  • 3,5-DIISOPROPYLSALICYLIC ACID(2215-21-6) Raman
    Mass

    MS-NW-9695          
    3,5-diisopropylsalicylic acid
    C13H18O3            (Mass of molecular ion:    222)
    

       Source Temperature: 150 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          39.0       1.4
          41.0       2.4
          43.0       1.5
          51.0       1.3
          53.0       1.2
          55.0       2.2
          65.0       2.0
          77.0       3.9
          78.0       1.2
          79.0       2.6
          80.0       1.6
          87.0       5.3
          89.0       1.5
          91.0       9.8
          92.0       1.2
          93.0       1.7
          96.0       2.4
         103.0       2.8
         105.0       5.9
         107.0       1.7
         115.0       7.1
         116.0       2.7
         117.0       6.2
         118.0       2.3
         119.0       2.8
         121.0       1.1
         127.0       1.3
         128.0       3.8
         129.0       1.5
         131.0       2.9
         132.0       1.3
         133.0       3.9
         134.0       1.1
         143.0       4.4
         144.0       1.0
         145.0       2.7
         146.0       3.2
         147.0       3.0
         148.0       5.9
         158.0       1.4
         159.0       1.3
         160.0       2.9
         161.0      71.0
         162.0       9.4
         163.0       2.2
         173.0       2.0
         175.0       3.8
         176.0      63.1
         177.0       8.8
         178.0       1.0
         187.0      10.0
         188.0       2.5
         189.0      95.0
         190.0      12.8
         191.0       1.3
         203.0       9.1
         204.0     100.0
         205.0      16.1
         206.0       2.0
         207.0      18.2
         208.0       2.6
         221.0       1.1
         222.0      69.7
         223.0      10.3
         224.0       1.1
    

400 MHz in CDCl3

  • 3,5-DIISOPROPYLSALICYLIC ACID(2215-21-6) Raman

    1H NMR 399.65 MHz
    C13 H18 O3 0.034 g : 0.5 ml CDCl3
    3,5-diisopropylsalicylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.6 B 7.640 C 7.334 D 3.370 E 2.870 F 1.258 G 1.246

         Hz     ppm     Int.
    

       4222.17  10.565    164
       3055.03   7.645    124
       3054.67   7.644    125
       3052.65   7.639    134
       2932.31   7.338    118
       2929.93   7.332    117
       1354.33   3.389     46
       1347.37   3.372     63
       1340.41   3.354     49
       1154.50   2.889     45
       1147.54   2.872     62
       1140.76   2.855     47
        506.46   1.268    878
        501.69   1.256   1000
        499.49   1.250    973
        494.92   1.239    998
    

in CDCl3

  • 3,5-DIISOPROPYLSALICYLIC ACID(2215-21-6) Raman

KBr disc

  • 3,5-DIISOPROPYLSALICYLIC ACID(2215-21-6) Raman

nujol mull

  • 3,5-DIISOPROPYLSALICYLIC ACID(2215-21-6) Raman

  • 3,5-DIISOPROPYLSALICYLIC ACID(2215-21-6) Raman

3,5-DIISOPROPYLSALICYLIC ACID(2215-21-6) Raman Atlas of Related Products

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