107-12-0

丙腈(107-12-0)紅外圖譜(IR1)

產(chǎn)品名稱:丙腈

CAS:107-12-0

分子式:C3H5N

分子量: 55.08

InChI:InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3

InChIKey: FVSKHRXBFJPNKK-UHFFFAOYSA-N

Smiles:C(#N)CC

Mass

MS-NW-0774          
propionitrile
C3H5N               (Mass of molecular ion:     55)

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

      15.0       4.2
      25.0       1.8
      26.0      16.3
      27.0      14.7
      28.0     100.0
      29.0       2.6
      37.0       1.3
      38.0       2.1
      39.0       2.0
      40.0       4.2
      50.0       1.8
      51.0      10.2
      52.0      14.1
      53.0       8.8
      54.0      84.6
      55.0      15.6
      56.0       1.2

parameter in CDCl3

90 MHz in CDCl3

¹H NMR	300 MHz
C₃ H₅ N	10 vol% in CCl₄
propionitrile

    Parameter     ppm  Hz

      D(A)         1.289
      D(B)         2.311
       J(A,B)          7.605
     
     EBERSOLE,S. ET AL. J.PHYS.CHEM. 68, 3430 (1964)

     Hz     ppm     Int.

    704.84   2.349    146
    697.22   2.324    463
    689.62   2.299    486
    682.04   2.273    170
    394.21   1.314    509
    386.62   1.289   1000
    379.01   1.263    456

¹H NMR	89.56 MHz
C₃ H₅ N	10.1 mol% in CDCl₃
propionitrile

    Assign.     Shift(ppm)

      A             1.30
      B             2.36

     Hz     ppm     Int.

    223.63   2.497     99
    222.75   2.488     96
    215.44   2.406    364
    208.63   2.330    252
    207.81   2.321    443
    200.88   2.243    151
    200.06   2.234    137
    123.31   1.377    456
    116.06   1.296   1000
    115.50   1.290    603
    112.75   1.259     26
    108.19   1.209    316
    107.56   1.201    168

in CDCl3

liquid film

UV PHOTOLYSIS IN H2O2 AND H2O, 40C

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丙腈(107-12-0)紅外圖譜(IR1)