3-氯丙酸(107-94-8)紅外圖譜(IR1)

產(chǎn)品名稱(chēng):3-氯丙酸

CAS:107-94-8

分子式:C3H5ClO2

分子量: 108.52

InChI:InChI=1S/C3H5ClO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)

InChIKey: QEYMMOKECZBKAC-UHFFFAOYSA-N

Smiles:C(O)(=O)CCCl

Mass

MS-NW-4618          
3-chloropropionic acid
C3H5ClO2            (Mass of molecular ion:    108)

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

      14.0       1.0
      18.0       1.0
      25.0       1.5
      26.0      10.3
      27.0      36.7
      28.0      34.0
      29.0       6.6
      31.0       1.5
      35.0       1.0
      36.0       4.7
      38.0       1.5
      42.0       4.1
      43.0       2.4
      44.0       1.4
      45.0      22.6
      46.0       2.0
      49.0       4.9
      51.0       1.6
      55.0      12.3
      61.0       1.5
      62.0       4.9
      63.0      12.1
      64.0       2.5
      65.0       3.9
      72.0       5.4
      73.0     100.0
      74.0       3.5
      89.0       1.0
      91.0       2.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₃ H₅ Cl O₂	0.044 g : 0.5 ml CDCl₃
3-chloropropionic acid

    Assign.     Shift(ppm)

      A            11.80
      B             3.76
      C             2.87

     Hz     ppm     Int.

   1060.85  11.846     39
   1057.20  11.805    358
    343.88   3.840    368
    343.33   3.834    350
    337.22   3.766    776
    336.74   3.760    968
    333.25   3.721     32
    332.86   3.717     34
    330.63   3.692    557
    263.51   2.943    545
    261.44   2.920     40
    261.13   2.916     39
    259.70   2.900     63
    257.00   2.870   1000
    254.54   2.843     40
    253.19   2.828     32
    250.42   2.797    379
    249.94   2.791    340

in CDCl3