BIS(2,2,2-TRIFLUOROETHYL) PHTHALATE(62240-27-1) IR2

Product NameBIS(2,2,2-TRIFLUOROETHYL) PHTHALATE

CAS 62240-27-1

Molecular FormulaC12H8F6O4

Molecular Weight330.18

InChIInChI=1S/C12H8F6O4/c13-11(14,15)5-21-9(19)7-3-1-2-4-8(7)10(20)22-6-12(16,17)18/h1-4H,5-6H2

InChIKey PSRBRNHUQJKQHV-UHFFFAOYSA-N

SmilesC1(C(OCC(F)(F)F)=O)=CC=CC=C1C(OCC(F)(F)F)=O

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IR1

IR2

Mass

MS-NW-1631          
bis(2,2,2-trifluoroethyl) phthalate
C12H8F6O4           (Mass of molecular ion:    330)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      29.0       1.1
      33.0       3.7
      38.0       1.2
      50.0       8.0
      51.0       2.3
      52.0       2.5
      63.0       1.4
      64.0       3.1
      66.0       6.8
      69.0       1.6
      74.0       2.5
      75.0       3.2
      76.0      10.0
      77.0       6.7
      83.0       6.0
      92.0       7.0
      93.0       1.1
      95.0       2.2
     104.0       5.3
     105.0       2.5
     111.0       3.4
     120.0       4.9
     121.0       1.1
     123.0       2.4
     127.0       1.1
     149.0       7.8
     151.0       4.5
     183.0       2.0
     203.0       1.9
     211.0       1.0
     231.0     100.0
     232.0      11.0
     233.0       1.1
     311.0       2.5
     330.0      13.1
     331.0       1.8

KBr disc

nujol mull

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