Ethyl 4-iodobenzoate(51934-41-9) ¹³C NMR

Product NameEthyl 4-iodobenzoate

CAS 51934-41-9

Molecular FormulaC9H9IO2

Molecular Weight276.07

InChIInChI=1S/C9H9IO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3

InChIKey YCBJOQUNPLTBGG-UHFFFAOYSA-N

SmilesC(OCC)(=O)C1=CC=C(I)C=C1

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-6658          
ethyl p-iodobenzoate
C9H9IO2             (Mass of molecular ion:    276)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       4.2
      29.0       7.2
      37.0       1.0
      38.0       1.5
      39.0       1.5
      45.0       3.8
      50.0      20.7
      51.0       3.2
      65.0       6.6
      73.0       1.6
      74.0       8.0
      75.0       9.0
      76.0      35.5
      77.0       4.9
      93.0       1.1
     103.0       3.2
     104.0       9.7
     105.0       2.0
     121.0       3.2
     127.0       1.6
     149.0       6.8
     203.0      21.1
     204.0       1.8
     231.0     100.0
     232.0      12.1
     248.0      44.0
     249.0       3.9
     276.0      54.2
     277.0       5.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₉ I O₂	0.05 ml : 0.5 ml CDCl₃
ethyl p-iodobenzoate

    Assign.     Shift(ppm)

      A             7.75
      B             4.355
      C             1.378

     Hz     ppm     Int.

    703.25   7.853     26
    702.13   7.840     23
    699.75   7.814     29
    694.00   7.749   1000
    688.00   7.683     31
    685.63   7.656     26
    684.44   7.643     28
    401.13   4.479     76
    393.88   4.398    251
    386.81   4.320    262
    379.75   4.241     87
    130.38   1.456    278
    128.31   1.433     29
    123.31   1.377    566
    119.38   1.333     26
    116.13   1.297    245

in CDCl3