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19444-84-9

2-羟基-丁酸酮(19444-84-9)红外图谱(IR1)

产品名称:2-羟基-丁酸酮

CAS:19444-84-9

分子式:C4H6O3

分子量: 102.09

InChI:InChI=1S/C4H6O3/c5-3-1-2-7-4(3)6/h3,5H,1-2H2

InChIKey: FWIBCWKHNZBDLS-UHFFFAOYSA-N

Smiles:O1CCC(O)C1=O

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    Mass

    MS-IW-4183          
    2-hydroxy-gamma-butyrolactone
    C4H6O3              (Mass of molecular ion:    102)
    

       Source Temperature: 240 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          14.0       1.3
          15.0       4.3
          18.0       1.9
          19.0       6.4
          26.0       5.2
          27.0      19.8
          28.0      40.4
          29.0      41.3
          30.0      33.3
          31.0      17.2
          39.0       6.7
          40.0       8.8
          41.0       5.4
          42.0       4.2
          43.0      28.5
          44.0      33.1
          45.0      14.4
          46.0       3.4
          55.0       8.0
          56.0       3.4
          57.0     100.0
          58.0      69.2
          59.0       2.6
          73.0       1.2
         102.0       1.5
         103.0       5.1
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C4 H6 O3 0.05 ml : 0.5 ml CDCl3
    2-hydroxy-gamma-butyrolactone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.63 B 4.573 C 4.419 D 4.249 E 2.609 F 2.269

         Hz     ppm     Int.
    

       1851.93   4.634    138
       1837.04   4.597    745
       1828.74   4.576    851
       1826.78   4.571    856
       1818.48   4.551    780
       1811.16   4.532     63
       1807.13   4.522     56
       1806.88   4.522     56
       1806.03   4.520     56
       1805.79   4.519     56
       1804.44   4.516     54
       1803.71   4.514     54
       1803.34   4.513     53
       1802.61   4.511     53
       1802.12   4.510     53
       1800.42   4.505     51
       1798.95   4.502     50
       1797.85   4.499     49
       1797.49   4.498     49
       1796.51   4.496     48
       1796.14   4.495     48
       1794.68   4.491     47
       1792.60   4.486     45
       1792.24   4.485     45
       1791.87   4.484     44
       1791.50   4.483     44
       1791.14   4.482     44
       1790.53   4.481     43
       1789.79   4.479     42
       1789.31   4.478     42
       1788.82   4.476     42
       1786.99   4.472     40
       1786.38   4.470     40
       1786.01   4.469     39
       1785.64   4.469     39
       1785.40   4.468     39
       1784.18   4.465     40
       1782.35   4.460     40
       1776.98   4.447    520
       1775.02   4.442    536
       1767.94   4.424    995
       1765.99   4.419   1000
       1759.03   4.402    704
       1757.08   4.397    686
       1751.34   4.383     75
       1750.98   4.382     75
       1750.61   4.381     74
       1750.24   4.380     74
       1735.60   4.343     30
       1727.05   4.322     30
       1725.95   4.319     32
       1714.11   4.290     67
       1710.69   4.281    723
       1704.59   4.266    771
       1701.42   4.258    630
       1700.20   4.255    818
       1695.43   4.243    661
       1694.09   4.239    784
       1691.04   4.232    631
       1684.94   4.217    589
       1679.93   4.204     39
       1057.62   2.647    259
       1055.66   2.642    268
       1051.51   2.632    296
       1049.44   2.626    478
       1047.36   2.621    303
       1045.04   2.615    345
       1043.21   2.611    548
       1041.26   2.606    315
       1038.94   2.600    350
       1036.87   2.595    540
       1034.67   2.589    330
       1030.64   2.579    306
       1028.69   2.574    284
        927.12   2.320    291
        918.33   2.298    357
        916.87   2.295    565
        914.55   2.289    277
        908.08   2.273    576
        906.37   2.268    469
        904.17   2.263    491
        897.71   2.247    317
        895.51   2.241    459
        893.80   2.237    303
        885.13   2.215    237
        880.25   2.203     30
    

in CDCl3

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liquid film

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