5345-89-1

2,6-DICHLOROCINNAMIC ACID(5345-89-1) IR1

Product Name2,6-DICHLOROCINNAMIC ACID

CAS 5345-89-1

Molecular FormulaC9H6Cl2O2

Molecular Weight217.05

InChIInChI=1S/C9H6Cl2O2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,(H,12,13)

InChIKey OIPVGRCXMFBNAN-UHFFFAOYSA-N

SmilesC(O)(=O)C=CC1=C(Cl)C=CC=C1Cl

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IR1

IR2

2,6-DICHLOROCINNAMIC ACID(5345-89-1) IR1
Mass

MS-NW-6496          
2,6-dichlorocinnamic acid
C9H6Cl2O2           (Mass of molecular ion:    216)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       2.9
      36.0       1.8
      37.0       1.1
      39.0       1.2
      44.0       3.2
      45.0       2.3
      49.0       1.7
      49.5       2.0
      50.0       6.5
      51.0       4.4
      61.0       1.8
      62.0       2.4
      63.0       3.2
      68.0       5.2
      69.0       1.9
      73.0       2.0
      74.0       7.9
      75.0       8.9
      76.0       1.4
      84.0       1.5
      85.0       2.5
      86.0       1.3
      87.0       1.1
      89.0       5.8
      90.0       1.4
      97.0       1.0
      98.0       2.3
      99.0      11.2
     100.0       3.2
     101.0       9.8
     102.0       7.7
     109.0       2.4
     111.0       1.5
     117.0       1.0
     118.0       2.5
     125.0      18.4
     126.0       1.8
     127.0       6.1
     135.0       8.8
     136.0       7.9
     137.0      12.9
     138.0       3.5
     139.0       3.5
     152.0       1.6
     163.0       1.6
     168.0       1.7
     170.0       2.8
     171.0       3.6
     172.0       2.3
     173.0       2.5
     181.0     100.0
     182.0      10.2
     183.0      33.1
     184.0       3.3
     199.0       1.5
     216.0       5.0
     218.0       3.4

KBr disc