2-CHLORO-5-HYDROXYBENZOTRIFLUORIDE(6294-93-5) ¹H NMR

Product Name2-CHLORO-5-HYDROXYBENZOTRIFLUORIDE

CAS 6294-93-5

Molecular FormulaC7H4ClF3O

Molecular Weight196.55

InChIInChI=1S/C7H4ClF3O/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3,12H

InChIKey ZLFPIEUWXNRPNM-UHFFFAOYSA-N

SmilesC1(O)=CC=C(Cl)C(C(F)(F)F)=C1

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2-CHLORO-5-HYDROXYBENZOTRIFLUORIDE(6294-93-5) <sup>1</sup>H NMR
Mass

MS-KW-0171          
4-chloro-3-(trifluoromethyl)phenol
C7H4ClF3O           (Mass of molecular ion:    196)

   Source Temperature: 250 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.9
      28.0       1.9
      31.0       1.1
      37.0       1.4
      38.0       1.8
      39.0       1.9
      50.0       1.4
      53.0       2.1
      57.0       2.0
      61.0       2.1
      62.0       3.6
      63.0       9.2
      64.0       1.1
      66.0       3.1
      69.0       2.2
      73.0       3.2
      74.0       2.2
      75.0       3.2
      80.0       2.8
      80.5       1.1
      81.0       1.8
      83.0       3.7
      88.0       1.2
      91.0       1.2
      93.0       1.0
      97.0       1.1
      98.0       1.9
      99.0       5.5
     101.0       1.5
     113.0       8.0
     114.0       2.2
     117.0       1.2
     131.0       1.1
     132.0       7.2
     133.0       4.5
     141.0       2.3
     146.0       7.7
     147.0       1.6
     148.0      12.6
     149.0       1.6
     150.0       3.4
     161.0      19.8
     162.0       2.0
     167.0       1.8
     175.0       1.5
     177.0      14.4
     178.0       1.3
     179.0       6.0
     195.0       1.8
     196.0     100.0
     197.0       8.4
     198.0      32.5
     199.0       2.5

400 MHz in CDCl3

2-CHLORO-5-HYDROXYBENZOTRIFLUORIDE(6294-93-5) <sup>1</sup>H NMR

¹H NMR	399.65 MHz
C₇ H₄ Cl F₃ O	0.043 g : 0.5 ml CDCl₃
4-chloro-3-(trifluoromethyl)phenol

    Assign.     Shift(ppm)

      A             7.347
      B             7.164
      C             6.938
      D             5.38

     Hz     ppm     Int.

   2940.67   7.359    350
   2940.06   7.357    355
   2931.76   7.336    384
   2931.40   7.335    389
   2864.50   7.168    504
   2861.57   7.161    515
   2778.69   6.953    265
   2778.08   6.952    257
   2775.63   6.946    241
   2775.15   6.944    235
   2770.02   6.932    237
   2769.41   6.930    231
   2766.97   6.924    216
   2766.48   6.923    207
   2151.00   5.383   1000

in CDCl3