627-30-5

3-氯-1-丙醇(627-30-5)质谱(MS)

产品名称:3-氯-1-丙醇

CAS:627-30-5

分子式:C3H7ClO

分子量: 94.54

InChI:InChI=1S/C3H7ClO/c4-2-1-3-5/h5H,1-3H2

InChIKey: LAMUXTNQCICZQX-UHFFFAOYSA-N

Smiles:C(O)CCCl

Mass

MS-NW-5063          
3-chloro-1-propanol
C3H7ClO             (Mass of molecular ion:     94)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       2.4
      18.0       1.3
      19.0       1.7
      25.0       1.0
      26.0       7.6
      27.0      26.1
      28.0      80.5
      29.0      22.9
      30.0      31.8
      31.0      97.8
      32.0       1.0
      35.0       1.1
      36.0       5.9
      37.0       1.5
      38.0       2.1
      39.0       8.0
      40.0       3.6
      41.0      19.8
      42.0       1.4
      43.0       4.9
      44.0       1.0
      45.0       3.4
      49.0       5.0
      51.0       1.6
      55.0       1.1
      57.0      53.4
      58.0     100.0
      59.0       4.3
      61.0       1.0
      62.0       1.5
      63.0       3.6
      64.0       2.1
      65.0       1.8
      76.0      16.2
      77.0       1.6
      78.0       5.4
      93.0       1.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₃ H₇ Cl O	0.02 ml : 0.5 ml CDCl₃
3-chloro-1-propanol

    Assign.     Shift(ppm)

      A             3.808
      B             3.683
      C             2.19
      D             2.017

     Hz     ppm     Int.

    346.94   3.874    214
    341.00   3.808    390
    336.19   3.754    205
    335.13   3.742    249
    329.81   3.683    371
    323.50   3.613    241
    196.25   2.192   1000
    192.31   2.148     56
    192.00   2.144     51
    186.00   2.077    176
    180.31   2.014    178
    179.81   2.008    214
    173.81   1.941    144
    167.88   1.875     41
    167.44   1.870     36

in CDCl3