1-CHLORO-3-IODOPROPANE(6940-76-7) ¹³C NMR

Product Name1-CHLORO-3-IODOPROPANE

CAS 6940-76-7

Molecular FormulaC3H6ClI

Molecular Weight204.44

InChIInChI=1S/C3H6ClI/c4-2-1-3-5/h1-3H2

InChIKey SFOYQZYQTQDRIY-UHFFFAOYSA-N

SmilesC(Cl)CCI

Request For Quotation

Mass

MS-IW-8602          
1-chloro-3-iodopropane
C3H6ClI             (Mass of molecular ion:    204)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.1
      26.0       1.5
      27.0      13.3
      28.0       2.9
      36.0       1.3
      37.0       1.4
      38.0       2.8
      39.0      21.0
      40.0       3.1
      41.0      89.8
      42.0       5.4
      49.0      16.1
      51.0       5.4
      61.0       1.7
      75.0       2.4
      76.0       3.0
      77.0     100.0
      78.0       4.4
      79.0      33.7
      80.0       1.1
     127.0      11.8
     128.0       4.2
     141.0       5.5
     155.0       6.0
     169.0       3.6
     204.0      57.7
     205.0       1.9
     206.0      18.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₃ H₆ Cl I	0.05 ml : 0.5 ml CDCl₃
1-chloro-3-iodopropane

    Assign.     Shift(ppm)

      A             3.644
      B             3.334
      C             2.230

     Hz     ppm     Int.

   1462.65   3.660    593
   1460.69   3.655     58
   1456.54   3.645    916
   1450.44   3.630    602
   1447.39   3.622     29
   1338.99   3.351    599
   1332.40   3.334   1000
   1329.59   3.327     47
   1325.93   3.318    598
    903.56   2.261    186
    897.22   2.246    486
    895.14   2.240     52
    894.53   2.239     52
    890.99   2.230    601
    884.77   2.214    454
    878.30   2.198    164

in CDCl3