1878-66-6

4-Chlorophenylacetic acid(1878-66-6) IR3

Product Name4-Chlorophenylacetic acid

CAS 1878-66-6

Molecular FormulaC8H7ClO2

Molecular Weight170.59

InChIInChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)

InChIKey CDPKJZJVTHSESZ-UHFFFAOYSA-N

SmilesC1(CC(O)=O)=CC=C(Cl)C=C1

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4-Chlorophenylacetic acid(1878-66-6) IR3
Mass

MS-NW-4721          
(p-chlorophenyl)acetic acid
C8H7ClO2            (Mass of molecular ion:    170)

   Source Temperature: 200 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      37.0       1.2
      38.0       1.9
      39.0       4.8
      43.0       1.2
      44.0       1.1
      45.0       2.1
      50.0       3.4
      51.0       3.3
      61.0       1.7
      62.0       4.0
      62.5       1.2
      63.0       9.7
      64.0       1.7
      65.0       1.8
      73.0       2.8
      74.0       1.2
      75.0       1.8
      77.0       2.7
      86.0       1.3
      87.0       1.3
      89.0      22.6
      90.0       5.8
      91.0      14.4
      92.0       1.2
      99.0       4.5
     101.0       1.4
     124.0       5.7
     125.0     100.0
     126.0       9.7
     127.0      32.6
     128.0       2.9
     152.0       8.5
     154.0       2.7
     170.0      35.1
     171.0       3.2
     172.0      11.4
     173.0       1.0

90 MHz in CDCl3

4-Chlorophenylacetic acid(1878-66-6) IR3

¹H NMR	89.56 MHz
C₈ H₇ Cl O₂	0.043 g : 0.5 ml CDCl₃
(p-chlorophenyl)acetic acid

    Assign.     Shift(ppm)

      A            11.29
      B             7.29
      C             7.20
      D             3.602

     Hz     ppm     Int.

   1011.29  11.292     97
    659.24   7.361    125
    658.22   7.350     97
    656.34   7.329     72
    653.00   7.292    116
    650.35   7.262   1000
    648.99   7.247    359
    648.22   7.238    387
    647.11   7.226    782
    644.37   7.195     95
    641.13   7.159     52
    639.16   7.137     74
    638.39   7.129     95
    322.66   3.603    979

in CDCl3