13205-46-4

4-ISOPROPOXYBENZOIC ACID(13205-46-4) ¹H NMR

Product Name4-ISOPROPOXYBENZOIC ACID

CAS 13205-46-4

Molecular FormulaC10H12O3

Molecular Weight180.2

InChIInChI=1S/C10H12O3/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3,(H,11,12)

InChIKey ZVERWTXKKWSSHH-UHFFFAOYSA-N

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

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4-ISOPROPOXYBENZOIC ACID(13205-46-4) <sup>1</sup>H NMR
Mass

MS-IW-4919          
p-isopropoxybenzoic acid
C10H12O3            (Mass of molecular ion:    180)

   Source Temperature: 140 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       1.3
      27.0       3.3
      38.0       1.1
      39.0       5.6
      41.0       4.7
      43.0       7.3
      50.0       1.3
      51.0       1.1
      53.0       1.6
      63.0       2.5
      64.0       1.4
      65.0       7.9
      74.0       1.5
      76.0       1.0
      81.0       2.1
      92.0       1.1
      93.0       5.8
     121.0      64.0
     122.0       5.0
     138.0     100.0
     139.0       8.1
     165.0       1.1
     180.0      21.8
     181.0       2.4

400 MHz in CDCl3

4-ISOPROPOXYBENZOIC ACID(13205-46-4) <sup>1</sup>H NMR

¹H NMR	399.65 MHz
C₁₀ H₁₂ O₃	0.037 g : 0.5 ml CDCl₃
p-isopropoxybenzoic acid

    Assign.     Shift(ppm)

      A            11.6
      B             8.046
      C             6.908
      D             4.638
      E             1.362

     Hz     ppm     Int.

   3223.00   8.065     22
   3220.25   8.058    175
   3218.42   8.054     57
   3213.29   8.041     58
   3211.28   8.036    184
   3208.53   8.029     26
   2767.83   6.926     22
   2765.26   6.920    175
   2756.29   6.897    170
   2753.73   6.891     23
   1866.10   4.670     24
   1860.06   4.655     61
   1854.01   4.640     83
   1847.97   4.624     63
   1841.92   4.609     26
    547.48   1.370    976
    541.44   1.355   1000

in CDCl3