1,3-Dichloroacetone(534-07-6) ¹³C NMR

Product Name1,3-Dichloroacetone

CAS 534-07-6

Molecular FormulaC3H4Cl2O

Molecular Weight126.97

InChIInChI=1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2

InChIKey SUNMBRGCANLOEG-UHFFFAOYSA-N

SmilesC(Cl)C(=O)CCl

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Mass

MS-NW-1433          
1,3-dichloro-2-propanone
C3H4Cl2O            (Mass of molecular ion:    126)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       3.0
      26.0       3.6
      27.0      11.3
      28.0       1.1
      29.0       1.4
      36.0       1.0
      37.0       1.1
      38.0       1.2
      39.0       1.3
      41.0       1.1
      42.0      23.9
      43.0       1.0
      47.0       1.4
      48.0       2.8
      49.0      48.4
      50.0       1.2
      51.0      15.3
      61.0       1.8
      62.0       1.1
      76.0       2.2
      77.0     100.0
      78.0       2.7
      79.0      32.0
      93.0       1.4
      95.0       1.3
     121.0       4.0
     123.0       3.9
     126.0      11.4
     128.0       7.1
     130.0       1.2

parameter in CDCl3

¹H NMR	300 MHz
C₃ H₄ Cl₂ O	0.101 g : 0.5 ml CDCl₃
1,3-dichloro-2-propanone

    Parameter     ppm  Hz

      D(A)         4.356

     Hz     ppm     Int.

   1306.80   4.356   1000

in CDCl3

KBr disc

liquid film

nujol mull

4880 A,200 M,powder

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1,3-Dichloroacetone(534-07-6) ¹³C NMR