2-(Trifluoromethyl)acrylic acid(381-98-6) ¹H NMR

Product Name2-(Trifluoromethyl)acrylic acid

CAS 381-98-6

Molecular FormulaC4H3F3O2

Molecular Weight140.06

InChIInChI=1S/C4H3F3O2/c1-2(3(8)9)4(5,6)7/h1H2,(H,8,9)

InChIKey VLSRKCIBHNJFHA-UHFFFAOYSA-N

SmilesC(O)(=O)C(C(F)(F)F)=C

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Mass

MS-IW-6991          
2-(trifluoromethyl)acrylic acid
C4H3F3O2            (Mass of molecular ion:    140)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      25.0       2.6
      26.0       8.9
      27.0       8.6
      28.0       4.8
      29.0       2.7
      31.0      12.2
      37.0       1.0
      42.0       2.6
      43.0       1.1
      44.0       4.5
      45.0      54.4
      46.0       5.9
      50.0       2.6
      51.0       5.3
      52.0       1.9
      53.0      10.9
      54.0       2.7
      55.0       1.8
      56.0       3.5
      57.0       3.6
      64.0       1.9
      67.0       2.2
      69.0      75.4
      71.0       3.2
      73.0      10.6
      74.0       1.8
      75.0      49.8
      76.0      70.9
      77.0       3.5
      91.0       3.3
      92.0       2.7
      93.0       1.5
      94.0       1.7
      95.0      44.2
      96.0       1.9
     100.0       6.6
     101.0      37.3
     102.0       1.8
     112.0       1.3
     120.0      28.4
     121.0       1.9
     123.0      71.5
     124.0       3.3
     139.0       2.2
     140.0     100.0
     141.0       5.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₃ F₃ O₂	0.042 g : 0.5 ml CDCl₃
2-(trifluoromethyl)acrylic acid

    Assign.     Shift(ppm)

      A            11.2
      B             6.883
      C             6.600

     Hz     ppm     Int.

   4485.20  11.223     64
   2753.36   6.890    348
   2751.71   6.886    931
   2749.88   6.881    931
   2748.23   6.877    345
   2745.12   6.869     22
   2639.61   6.605    407
   2638.51   6.603   1000
   2637.23   6.599    975
   2635.95   6.596    380
   2632.65   6.588     25

in CDCl3