94-82-6

2,4-Dichlorophenoxybutyric acid(94-82-6) ¹³C NMR

Product Name2,4-Dichlorophenoxybutyric acid

CAS 94-82-6

Molecular FormulaC10H10Cl2O3

Molecular Weight249.09

InChIInChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)

InChIKey YIVXMZJTEQBPQO-UHFFFAOYSA-N

SmilesC(O)(=O)CCCOC1=CC=C(Cl)C=C1Cl

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2,4-Dichlorophenoxybutyric acid(94-82-6) <sup>13</sup>C NMR
Mass

MS-NW-8477          
4-(2,4-dichlorophenoxy)butyric acid
C10H10Cl2O3         (Mass of molecular ion:    248)

   Source Temperature: 170 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       1.0
      27.0       6.8
      28.0       1.5
      29.0       2.2
      31.0       2.1
      39.0       5.1
      41.0      16.2
      42.0       3.6
      43.0      24.4
      45.0      20.7
      50.0       1.1
      55.0       1.1
      62.0       2.3
      63.0      10.5
      69.0       5.2
      73.0       4.2
      74.0       2.3
      75.0       3.5
      85.0       1.9
      87.0      35.2
      88.0       1.5
      97.0       1.2
      98.0       7.3
      99.0       3.8
     100.0       2.5
     101.0       1.2
     109.0       3.3
     111.0       2.2
     126.0       3.4
     128.0       2.8
     133.0       3.5
     135.0       2.2
     145.0       2.2
     147.0       1.6
     161.0       1.1
     162.0     100.0
     163.0       7.3
     164.0      63.5
     165.0       4.4
     166.0      10.4
     248.0       5.9
     250.0       3.8