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Back ChemicalBook Home>CAS DataBase List>536-66-3More Spectrum> 4-Isopropylbenzoic acid(536-66-3) 1H NMR

4-Isopropylbenzoic acid(536-66-3) 1H NMR

Product Name4-Isopropylbenzoic acid

CAS536-66-3

Molecular FormulaC10H12O2

Molecular Weight164.2

InChIInChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)

InChIKey CKMXAIVXVKGGFM-UHFFFAOYSA-N

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

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1HNMR

13CNMR

IR1

Raman 



  •     Assign.     Shift(ppm)
    
      A            12.52
      B             8.05
      C             7.32
      D             2.97
      E             1.276
    Spectral Code: 1H NMR : 90 MHz in CDCl3



  •        ppm   Int.  Assign.
    
      172.64   199      1
      155.42   403      2
      130.50   914      3
      127.15   409      4
      126.65  1000      5
       34.41   640      6
       23.67   957      7
    Spectral Code: 13C NMR : in CDCl3


  • Spectral Code: IR : nujol mull



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4-Isopropylbenzoic acid(536-66-3) 1H NMR Atlas of Related Products

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