氯甲酸烯丙酯(2937-50-0)核磁圖(¹³CNMR)

產(chǎn)品名稱:氯甲酸烯丙酯

CAS:2937-50-0

分子式:C4H5ClO2

分子量: 120.53

InChI:InChI=1S/C4H5ClO2/c1-2-3-7-4(5)6/h2H,1,3H2

InChIKey: CAEWJEXPFKNBQL-UHFFFAOYSA-N

Smiles:C(Cl)(OCC=C)=O

Mass

MS-IW-4899          
allyl chloroformate
C4H5ClO2            (Mass of molecular ion:    120)

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

      14.0       1.0
      15.0       3.3
      25.0       1.4
      26.0       8.9
      27.0      22.2
      28.0      15.6
      29.0      23.5
      30.0       1.0
      31.0       2.4
      35.0       4.1
      36.0       5.9
      37.0       5.8
      38.0       9.9
      39.0      73.0
      40.0      52.9
      41.0     100.0
      42.0       7.1
      42.5       1.6
      43.0       3.2
      44.0      31.8
      45.0       1.7
      49.0       1.0
      55.0       5.6
      56.0       5.6
      57.0      32.5
      58.0       1.4
      63.0      95.3
      64.0       2.8
      65.0      34.1
      75.0       1.6
      76.0      19.9
      77.0       1.3
      78.0       9.6
      80.0       1.1
      81.0       2.0
      84.0       2.7
      85.0       5.2
      91.0       1.5
      92.0       1.9
      93.0       1.6
     120.0       3.1
     122.0       1.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₅ Cl O₂	0.04 ml : 0.5 ml CDCl₃
allyl chloroformate

    Assign.     Shift(ppm)

      A             5.93
      B             5.43
      C             5.37
      D             4.78

     Hz     ppm     Int.

    554.25   6.189     98
    548.19   6.121    148
    544.81   6.084     63
    544.06   6.075     77
    542.50   6.058    111
    539.13   6.020     84
    538.06   6.008    131
    537.31   6.000    106
    536.56   5.992    106
    533.81   5.961     56
    532.44   5.946     99
    531.31   5.933    160
    530.25   5.921    147
    527.19   5.887    210
    525.69   5.870    132
    524.31   5.855    109
    521.56   5.824    290
    521.13   5.819    372
    515.63   5.758    307
    495.88   5.537    174
    494.63   5.523    397
    494.13   5.518    382
    493.00   5.505    683
    491.75   5.491    290
    487.75   5.447    300
    486.81   5.436    592
    485.81   5.425    403
    485.19   5.418    339
    484.25   5.407    152
    479.06   5.350    229
    477.69   5.334    532
    476.38   5.320    373
    475.94   5.315    284
    475.06   5.305    470
    474.19   5.295    291
    431.69   4.821    733
    430.81   4.811   1000
    429.56   4.797    703
    427.88   4.778     53
    425.81   4.755    522
    424.75   4.743    865
    423.69   4.731    556

in CDCl3