4-Chloromandelic acid(7138-34-3) ¹H NMR

Product Name4-Chloromandelic acid

CAS 7138-34-3

Molecular FormulaC8H7ClO3

Molecular Weight186.59

InChIInChI=1S/C8H7ClO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)

InChIKey BWSFWXSSALIZAU-UHFFFAOYSA-N

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

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¹HNMR

IR1

4-Chloromandelic acid(7138-34-3) <sup>1</sup>H NMR
Mass

MS-NW-2235          
DL-p-chloro-alpha-hydroxyphenylacetic acid
C8H7ClO3            (Mass of molecular ion:    186)

   Source Temperature: 150 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       2.1
      27.0       1.1
      29.0       4.2
      38.0       1.4
      39.0       1.7
      45.0       1.8
      50.0       4.9
      51.0       9.4
      52.0       1.7
      62.0       1.2
      63.0       1.6
      73.0       1.2
      74.0       2.2
      75.0       5.8
      76.0       1.5
      77.0      71.2
      78.0       7.8
      89.0       2.7
     105.0       2.0
     106.0       1.2
     111.0       4.6
     113.0      14.5
     114.0       1.2
     115.0       4.2
     124.0       2.6
     139.0       3.7
     140.0       1.0
     141.0     100.0
     142.0       8.5
     143.0      31.0
     144.0       2.6
     186.0      13.9
     187.0       1.2
     188.0       4.6

400 MHz in DMSO-d6

4-Chloromandelic acid(7138-34-3) <sup>1</sup>H NMR

¹H NMR	399.65 MHz
C₈ H₇ Cl O₃	0.039 g : 0.5 ml DMSO-d₆
DL-p-chloro-alpha-hydroxyphenylacetic acid

    Assign.     Shift(ppm)

      A             7.449
      B             7.420
      C             5.065

     Hz     ppm     Int.

   2983.28   7.465    263
   2981.45   7.461    129
   2976.93   7.449    194
   2974.73   7.444    891
   2969.24   7.430    239
   2967.53   7.426   1000
   2965.21   7.420    236
   2960.94   7.409    138
   2958.62   7.404    305
   2024.54   5.066    669

KBr disc