5837-73-0

DL-2-羟基-3-丁烯酸甲酯(5837-73-0)质谱(MS)

产品名称:DL-2-羟基-3-丁烯酸甲酯

CAS:5837-73-0

分子式:C5H8O3

分子量: 116.12

InChI:InChI=1S/C5H8O3/c1-3-4(6)5(7)8-2/h3-4,6H,1H2,2H3

InChIKey: JBKTVPSFVUFSAO-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3482          
methyl (+-)-2-hydroxy-3-butenoate
C5H8O3              (Mass of molecular ion:    116)

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

      15.0       9.9
      26.0       4.4
      27.0      17.5
      28.0       8.3
      29.0      40.9
      30.0       2.4
      31.0      19.4
      32.0       1.8
      33.0       6.4
      37.0       1.3
      38.0       2.5
      39.0       7.4
      40.0       1.5
      41.0       1.9
      42.0       1.1
      43.0       2.2
      44.0       1.2
      45.0       6.0
      53.0       1.1
      55.0      16.4
      56.0      10.7
      57.0     100.0
      58.0       6.6
      59.0      18.7
      60.0       1.7
      61.0       2.2
      68.0       1.7
      71.0       2.0
      84.0      38.8
      85.0       2.5
      87.0      17.1
      88.0       1.0
      99.0       2.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₅ H₈ O₃	0.05 ml : 0.5 ml CDCl₃
methyl (+-)-2-hydroxy-3-butenoate

    Assign.     Shift(ppm)

      A             5.950
      B             5.495
      C             5.271
      D             4.717
      E             4.44
      F             3.795

     Hz     ppm     Int.

   2205.57   5.519    135
   2204.35   5.516    149
   2203.74   5.515    149
   2202.51   5.512    138
   2188.48   5.476    113
   2187.13   5.473    122
   2186.65   5.472    129
   2185.42   5.469    116
   2113.04   5.288    141
   2111.82   5.285    146
   2111.21   5.283    155
   2109.99   5.280    134
   2102.66   5.262    126
   2101.32   5.258    137
   2100.83   5.257    145
   2099.61   5.254    127
   1889.65   4.729     91
   1887.82   4.724    165
   1885.99   4.720     97
   1884.52   4.716     94
   1882.69   4.711    158
   1880.86   4.707     88
   1516.85   3.796   1000

in CDCl3