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Back ChemicalBook Home>CAS DataBase List>107-08-4More Spectrum> 1-Iodopropane(107-08-4) 13C NMR

1-Iodopropane(107-08-4) 13C NMR

Product Name1-Iodopropane

CAS107-08-4

Molecular FormulaC3H7I

Molecular Weight169.99

InChIInChI=1S/C3H7I/c1-2-3-4/h2-3H2,1H3

InChIKey PVWOIHVRPOBWPI-UHFFFAOYSA-N

SmilesC(I)CC


  • Mass

    MS-NW-4943          
    1-iodopropane
    C3H7I               (Mass of molecular ion:    170)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       1.7
          26.0       1.7
          27.0      31.7
          28.0       1.7
          38.0       1.5
          39.0      10.7
          40.0       2.0
          41.0      36.8
          42.0       3.3
          43.0     100.0
          44.0       3.3
         127.0       4.9
         128.0       1.2
         170.0      23.3
    

parameter in benzene


  • 1H NMR 300 MHz
    C3 H7 I 90 vol% in benzene
    1-iodopropane
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 2.991 D(B) 1.659 D(C) 0.820 J(A,B) 6.80 J(A,C) -0.05 J(B,C) 7.25 SCHRUMPF,G. J.MAGN.RESON. 6, 243 (1972)

         Hz     ppm     Int.
    

        904.16   3.014    340
        897.38   2.991    698
        890.58   2.969    364
        515.48   1.718     42
        508.34   1.694    163
        501.33   1.671    320
        494.21   1.647    323
        487.22   1.624    176
        480.15   1.600     46
        253.15   0.844    510
        245.90   0.820   1000
        238.66   0.796    449
    

in CDCl3



liquid film





REACTION WITH NA AT 77K



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