6000-00-6

4-溴-2-丁烯酸甲酯(6000-00-6)核磁圖(¹HNMR)

產(chǎn)品名稱:4-溴-2-丁烯酸甲酯

CAS:6000-00-6

分子式:C5H7BrO2

分子量: 179.01

InChI:InChI=1S/C5H7BrO2/c1-8-5(7)3-2-4-6/h2-3H,4H2,1H3/b3-2+

InChIKey: RWIKCBHOVNDESJ-NSCUHMNNSA-N

Smiles:C(OC)(=O)/C=C/CBr

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-5453          
methyl trans-4-bromocrotonate
C5H7BrO2            (Mass of molecular ion:    178)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      14.0       1.2
      15.0      23.6
      26.0       3.2
      27.0       7.5
      28.0       3.8
      29.0       6.6
      30.0       1.5
      31.0       2.5
      37.0       5.1
      38.0      11.1
      39.0      55.1
      40.0      14.1
      41.0      21.9
      42.0       4.1
      43.0       1.7
      45.0       1.5
      53.0       1.9
      54.0       1.7
      55.0       6.8
      56.0       2.0
      59.0      17.9
      67.0       1.5
      68.0      45.2
      69.0       5.5
      71.0      10.0
      77.0       1.2
      79.0       2.4
      80.0       3.0
      81.0       2.2
      82.0       2.8
      83.0       1.6
      84.0       2.0
      85.0       2.6
      93.0       2.5
      94.0       2.9
      95.0       2.4
      96.0       2.6
      98.0       1.9
      99.0     100.0
     100.0       6.0
     119.0      10.9
     121.0       9.9
     135.0       1.0
     146.0       6.4
     147.0      27.1
     148.0       7.5
     149.0      28.4
     150.0       1.3
     151.0       2.2
     177.0       3.3
     178.0      29.1
     179.0       6.3
     180.0      28.6
     181.0       3.4
     199.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₇ Br O₂	0.04 ml : 0.5 ml CDCl₃
methyl trans-4-bromocrotonate

    Assign.     Shift(ppm)

      A             7.003
      B             6.046
      C             4.015
      D             3.759
     
     J(A,B)=15.3HZ. J(A,C)=7.3HZ. J(B,C)=1.2HZ.

     Hz     ppm     Int.

    643.69   7.188     32
    636.31   7.105     58
    629.13   7.025     37
    628.38   7.017     46
    620.94   6.934     79
    613.75   6.853     51
    549.13   6.132     45
    547.94   6.119     97
    546.69   6.105     48
    533.81   5.961     32
    532.56   5.947     69
    531.38   5.934     34
    363.75   4.062    161
    362.50   4.048    166
    356.44   3.980    150
    355.19   3.966    158
    337.88   3.773     24
    336.63   3.759   1000

in CDCl3