1642-81-5

4-(Chloromethyl)benzoic acid(1642-81-5) ¹³C NMR

Product Name4-(Chloromethyl)benzoic acid

CAS 1642-81-5

Molecular FormulaC8H7ClO2

Molecular Weight170.59

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

InChIKey OITNBJHJJGMFBN-UHFFFAOYSA-N

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

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4-(Chloromethyl)benzoic acid(1642-81-5) <sup>13</sup>C NMR
Mass

MS-IW-2133          
p-(chloromethyl)benzoic acid
C8H7ClO2            (Mass of molecular ion:    170)

   Source Temperature: 130 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       2.1
      38.0       1.3
      39.0       4.2
      43.0       1.0
      44.0       1.3
      45.0       1.9
      50.0       2.4
      51.0       3.2
      59.0       1.1
      61.0       1.2
      62.0       5.3
      63.0       8.4
      64.0       2.0
      65.0       1.6
      76.0       2.9
      77.0       5.3
      79.0       1.1
      89.0      11.2
      90.0       7.8
      91.0       5.9
      99.0       1.4
     105.0       1.0
     107.0      23.0
     108.0       1.8
     118.0       2.2
     125.0      14.1
     126.0       1.4
     127.0       4.6
     135.0     100.0
     136.0       9.1
     141.0       1.0
     153.0       3.5
     155.0       1.1
     169.0       1.1
     170.0      33.5
     171.0       3.4
     172.0      11.0
     173.0       1.0