17082-09-6

3-苯基-2-丙烯酰氯(17082-09-6)紅外圖譜(IR2)

產(chǎn)品名稱:3-苯基-2-丙烯酰氯

CAS:17082-09-6

分子式:C9H7ClO

分子量: 166.6

InChI:InChI=1S/C9H7ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+

InChIKey: WOGITNXCNOTRLK-VOTSOKGWSA-N

Smiles:C(Cl)(=O)/C=C/C1=CC=CC=C1

Mass

MS-IW-3460          
trans-cinnamoyl chloride
C9H7ClO             (Mass of molecular ion:    166)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      38.0       1.3
      39.0       2.0
      50.0       7.1
      51.0      20.2
      51.5       4.9
      52.0       2.5
      62.0       1.9
      63.0       3.4
      65.5       4.1
      69.0       1.3
      74.0       4.0
      75.0       3.9
      76.0       4.7
      77.0      25.2
      78.0       1.9
     101.0       2.0
     102.0       9.9
     103.0      47.9
     104.0       4.3
     131.0     100.0
     132.0      10.0
     138.0       3.0
     140.0       1.0
     165.0       1.6
     166.0      10.0
     167.0       1.5
     168.0       3.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₇ Cl O	0.043 g : 0.5 ml CDCl₃
trans-cinnamoyl chloride

    Assign.     Shift(ppm)

      A             7.82
      B          7.78 to 7.24
      C             6.64

     Hz     ppm     Int.

    709.00   7.917    371
    694.94   7.760     46
    693.44   7.743    505
    688.13   7.684     46
    687.75   7.680     51
    686.94   7.671     74
    685.94   7.660     71
    684.94   7.648     77
    683.69   7.634    117
    682.81   7.625    163
    681.00   7.604    244
    679.63   7.589    138
    678.75   7.579    170
    677.31   7.563    290
    676.44   7.553    300
    673.13   7.516    576
    672.00   7.504    422
    671.19   7.495    520
    670.00   7.482    303
    669.06   7.471    887
    668.63   7.466    901
    667.44   7.453    473
    666.25   7.440    620
    665.00   7.426    288
    663.13   7.405    282
    661.38   7.385    272
    660.44   7.375    101
    658.31   7.351    100
    657.44   7.341     62
    601.31   6.715   1000
    585.75   6.541    765

in CDCl3