454-89-7

3-(Trifluoromethyl)benzaldehyde(454-89-7) ¹³C NMR

Product Name3-(Trifluoromethyl)benzaldehyde

CAS 454-89-7

Molecular FormulaC8H5F3O

Molecular Weight174.12

InChIInChI=1S/C8H5F3O/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-5H

InChIKey NMTUHPSKJJYGML-UHFFFAOYSA-N

SmilesC(=O)C1=CC=CC(C(F)(F)F)=C1

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3-(Trifluoromethyl)benzaldehyde(454-89-7) <sup>13</sup>C NMR
Mass

MS-IW-9017          
m-(trifluoromethyl)benzaldehyde
C8H5F3O             (Mass of molecular ion:    174)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       1.3
      29.0       3.0
      31.0       1.2
      37.0       1.1
      38.0       1.7
      39.0       1.9
      50.0       9.0
      51.0       7.7
      57.0       2.5
      62.0       1.4
      63.0       2.0
      69.0       4.1
      74.0       4.6
      75.0      12.5
      76.0       3.1
      77.0       5.4
      81.0       1.0
      94.0       1.1
      95.0      12.2
      96.0       6.9
      99.0       2.3
     107.0       1.1
     119.0       1.6
     121.0       1.5
     125.0       7.1
     126.0       4.0
     127.0       5.9
     144.0       1.6
     145.0      91.9
     146.0       9.3
     152.0       1.3
     155.0       9.3
     170.0       1.0
     171.0       4.5
     173.0     100.0
     174.0      78.8
     175.0       7.1

400 MHz in CDCl3

3-(Trifluoromethyl)benzaldehyde(454-89-7) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₈ H₅ F₃ O	0.05 ml : 0.5 ml CDCl₃
m-(trifluoromethyl)benzaldehyde

    Assign.     Shift(ppm)

      A            10.091
      B             8.148
      C             8.095
      D             7.891
      E             7.710

     Hz     ppm     Int.

   4033.05  10.092   1000
   3256.53   8.149    367
   3239.29   8.106    221
   3231.51   8.086    245
   3158.87   7.905    173
   3158.11   7.903    191
   3157.50   7.901    173
   3150.33   7.883    233
   3149.72   7.882    210
   3088.68   7.729    177
   3080.90   7.709    289
   3073.27   7.690    136

in CDCl3