107-05-1

3-氯丙烯(107-05-1)核磁圖(¹³CNMR)

產(chǎn)品名稱:3-氯丙烯

CAS:107-05-1

分子式:C3H5Cl

分子量: 76.52

InChI:InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2

InChIKey: OSDWBNJEKMUWAV-UHFFFAOYSA-N

Smiles:C=CCCl

Mass

MS-NW-2180          
3-chloropropene
C3H5Cl              (Mass of molecular ion:     76)

   Source Temperature: 280 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       2.0
      18.0       1.1
      26.0       2.5
      27.0       6.4
      36.0       1.1
      37.0       4.3
      38.0       6.3
      39.0      46.1
      40.0       9.0
      41.0     100.0
      42.0       3.8
      49.0       3.0
      51.0       1.0
      75.0       3.1
      76.0      25.3
      77.0       1.7
      78.0       8.0

90 MHz in CDCl3

parameter in CDCl3

¹H NMR	89.56 MHz
C₃ H₅ Cl	0.04 ml : 0.5 ml CDCl₃
3-chloropropene

    Assign.     Shift(ppm)

      A             5.958
      B             5.34
      C             5.22
      D             4.051

     Hz     ppm     Int.

    556.31   6.212    108
    549.75   6.139    162
    546.50   6.103    136
    543.38   6.068    122
    539.94   6.029    229
    539.44   6.024    193
    533.69   5.960    189
    532.88   5.950    275
    529.63   5.914    229
    526.56   5.880    206
    523.13   5.842    343
    516.88   5.772    278
    488.31   5.453    198
    487.06   5.439    506
    485.63   5.423    594
    484.38   5.409    276
    472.75   5.279    268
    471.94   5.270    556
    471.19   5.262    456
    470.44   5.253    542
    468.94   5.237    326
    467.56   5.221    163
    463.06   5.171    172
    462.19   5.161    363
    461.50   5.153    278
    460.69   5.144    347
    459.88   5.135    185
    366.81   4.096    801
    366.06   4.088   1000
    365.69   4.084    842
    364.81   4.074    743
    360.50   4.026    657
    359.63   4.016    902
    358.38   4.002    774

¹H NMR	300 MHz
C₃ H₅ Cl	10 vol% in CCl₄
3-chloropropene

    Parameter     ppm  Hz

      D(A)         5.929
      D(B)         5.160
      D(C)         5.312
      D(D)         3.985
       J(A,B)         10.11
       J(A,C)         16.92
       J(A,D)          6.46
       J(B,C)          1.27
       J(B,D)         -0.93
       J(C,D)         -1.38
     
     BOTHNER-BY,A.A. & GUENTHER,H. DICS.FAR.SOC. 34, 127 (1962)

     Hz     ppm     Int.

   1799.18   5.997    127
   1792.74   5.976    257
   1789.10   5.964    143
   1786.29   5.954    138
   1782.61   5.942    353
   1775.87   5.920    377
   1772.19   5.907    172
   1769.40   5.898    165
   1765.75   5.886    334
   1759.32   5.864    173
   1603.68   5.346    199
   1602.35   5.341    520
   1601.03   5.337    532
   1599.72   5.332    213
   1586.75   5.289    169
   1585.44   5.285    434
   1584.11   5.280    443
   1582.78   5.276    176
   1554.44   5.181    233
   1553.51   5.178    468
   1552.37   5.175    461
   1551.43   5.171    224
   1544.36   5.148    213
   1543.43   5.145    427
   1542.28   5.141    422
   1541.35   5.138    208
   1199.82   3.999    744
   1198.80   3.996   1000
   1197.60   3.992    746
   1193.39   3.978    733
   1192.34   3.974    985
   1191.15   3.970    720

in CDCl3