41145-84-0

2-溴丙酸-N-丁酯(41145-84-0)核磁图(¹³CNMR)

产品名称:2-溴丙酸-N-丁酯

CAS:41145-84-0

分子式:C7H13BrO2

分子量: 209.08

InChI:InChI=1S/C7H13BrO2/c1-3-4-5-10-7(9)6(2)8/h6H,3-5H2,1-2H3

InChIKey: INMAEXGIVZJYIJ-UHFFFAOYSA-N

Smiles:C(OCCCC)(=O)C(Br)C

Mass

MS-NW-0951          
butyl 2-bromopropionate
C7H13BrO2           (Mass of molecular ion:    208)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.3
      26.0       4.2
      27.0      29.7
      28.0      17.3
      29.0      54.2
      30.0       1.3
      31.0       2.8
      39.0       6.8
      40.0       1.3
      41.0      59.7
      42.0       3.3
      43.0       6.3
      45.0       1.2
      55.0      10.2
      56.0     100.0
      57.0      92.9
      58.0       4.2
      71.0       1.0
      73.0       2.2
      74.0       1.7
     107.0      12.9
     109.0      12.5
     135.0       9.0
     137.0       8.7
     153.0       6.0
     155.0       6.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₃ Br O₂	0.04 ml : 0.5 ml CDCl₃
butyl 2-bromopropionate

    Assign.     Shift(ppm)

      A             4.353
      B             4.174
      C             1.824
      D          1.19 to 1.95
      E             0.954

     Hz     ppm     Int.

    401.56   4.484     75
    394.56   4.406    209
    387.63   4.329    222
    380.75   4.252    185
    374.06   4.177    310
    367.56   4.105    208
    166.69   1.862   1000
    159.75   1.784    944
    157.56   1.760     86
    156.00   1.742     82
    153.75   1.717     83
    149.13   1.666    120
    148.19   1.655     89
    147.13   1.643     91
    142.50   1.592    137
    140.25   1.566     95
    136.31   1.522    122
    130.19   1.454     92
    128.50   1.435     96
    124.56   1.391     75
    121.63   1.359     85
    115.31   1.288     76
     91.31   1.020    226
     84.88   0.948    443
     83.44   0.932    151
     78.50   0.877     75
     77.50   0.866     90

in CDCl3