444-29-1

2-Iodobenzotrifluoride(444-29-1) ¹H NMR

Product Name2-Iodobenzotrifluoride

CAS 444-29-1

Molecular FormulaC7H4F3I

Molecular Weight272.01

InChIInChI=1S/C7H4F3I/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H

InChIKey IGZGUYVVBABKOY-UHFFFAOYSA-N

SmilesC1(I)=CC=CC=C1C(F)(F)F

Request For Quotation

¹HNMR

¹³CNMR

IR1

2-Iodobenzotrifluoride(444-29-1) <sup>1</sup>H NMR
Mass

MS-NW-8810          
alpha,alpha,alpha-trifluoro-o-iodotoluene
C7H4F3I             (Mass of molecular ion:    272)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      39.0       1.2
      50.0       7.5
      51.0       2.3
      57.0       1.8
      69.0       3.9
      74.0       4.7
      75.0      12.3
      76.0       3.7
      94.0       1.8
      95.0      17.0
      96.0       1.1
      99.0       2.4
     119.0       1.7
     125.0       9.9
     126.0       4.6
     127.0       2.9
     136.0       2.8
     143.0       1.6
     144.0       2.5
     145.0      87.4
     146.0       6.7
     253.0       4.9
     272.0     100.0
     273.0       7.6

90 MHz in CDCl3

2-Iodobenzotrifluoride(444-29-1) <sup>1</sup>H NMR

¹H NMR	89.56 MHz
C₇ H₄ F₃ I	0.05 ml : 0.5 ml CDCl₃
alpha,alpha,alpha-trifluoro-o-iodotoluene

    Assign.     Shift(ppm)

      A             7.990
      B             7.614
      C             7.410
      D             7.165
     
     CONFIRMED BY LAOCN PROGRAM

     Hz     ppm     Int.

    720.50   8.045    674
    720.00   8.040    731
    719.31   8.032    678
    716.19   7.997    142
    712.38   7.955    876
    712.06   7.951    870
    704.44   7.866     53
    704.00   7.861     52
    692.25   7.730     51
    688.31   7.686    445
    686.44   7.665    489
    680.50   7.599    993
    680.06   7.594    865
    678.56   7.577   1000
    674.25   7.529    134
    671.88   7.503    405
    671.25   7.495    490
    670.56   7.488    498
    669.88   7.480    405
    664.63   7.422    689
    663.88   7.413    833
    663.31   7.407    817
    662.63   7.399    662
    656.88   7.335    390
    656.19   7.327    457
    655.50   7.320    429
    654.75   7.311    336
    652.63   7.288    112
    652.06   7.281    114
    649.19   7.249    555
    648.63   7.243    567
    646.63   7.221    541
    641.38   7.162    676
    640.81   7.156    624
    639.56   7.142    617
    634.13   7.081    275
    633.50   7.074    284
    632.88   7.067    229
    632.19   7.059    251
    631.63   7.053    235
    629.25   7.027     59

in CDCl3