16874-33-2

2-四氢呋喃甲酸(16874-33-2)质谱(MS)

产品名称:2-四氢呋喃甲酸

CAS:16874-33-2

分子式:C5H8O3

分子量: 116.12

InChI:InChI=1S/C5H8O3/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)

InChIKey: UJJLJRQIPMGXEZ-UHFFFAOYSA-N

Smiles:O1CCCC1C(O)=O

Mass

MS-IW-9181          
tetrahydro-2-furancarboxylic acid
C5H8O3              (Mass of molecular ion:    116)

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

      15.0       1.9
      18.0       3.2
      26.0       1.7
      27.0      20.8
      28.0       9.0
      29.0      10.7
      31.0       2.7
      38.0       1.9
      39.0      15.4
      40.0       4.8
      41.0      43.2
      42.0      13.8
      43.0      63.6
      44.0       8.1
      45.0       6.2
      55.0       1.7
      58.0       1.1
      68.0       1.6
      69.0       4.3
      70.0       5.1
      71.0     100.0
      72.0       4.7
      73.0       1.1
      88.0       1.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₅ H₈ O₃	0.05 ml : 0.5 ml CDCl₃
tetrahydro-2-furancarboxylic acid

    Assign.     Shift(ppm)

      A            11.1
      B             4.529
      C     *1      4.041
      D     *1      3.951
      E     *2      2.321
      F     *2      2.104
      G             1.97

     Hz     ppm     Int.

   4419.44  11.059   1000
   1817.01   4.547    887
   1811.70   4.534    941
   1808.59   4.526    911
   1803.09   4.512    854
   1626.52   4.070    361
   1619.74   4.053    724
   1618.46   4.050    671
   1611.50   4.033    994
   1604.72   4.016    537
   1589.52   3.978    516
   1582.92   3.961    875
   1576.15   3.944    632
   1574.87   3.941    628
   1570.47   3.930     65
   1568.09   3.924    351
    946.79   2.370    192
    939.64   2.352    285
    938.55   2.349    395
    933.97   2.337    300
    931.58   2.331    424
    930.30   2.328    329
    927.19   2.321    361
    925.72   2.317    537
    923.16   2.310    288
    918.95   2.300    529
    917.30   2.296    361
    910.52   2.279    287
    857.22   2.145    232
    851.54   2.131    313
    850.08   2.128    490
    844.58   2.114    629
    843.12   2.110    452
    837.44   2.096    683
    831.94   2.082    397
    830.48   2.079    332
    824.80   2.064    286
    814.18   2.038     62
    807.40   2.021    140
    801.90   2.007    328
    798.61   1.999    360
    795.13   1.990    758
    791.65   1.981    749
    790.36   1.978    552
    788.35   1.973    905
    784.87   1.964    766
    783.59   1.961    746
    781.57   1.956    655
    778.09   1.947    415
    776.81   1.944    598
    774.61   1.939    249
    772.78   1.934    167
    771.31   1.930    167
    770.03   1.927    227
    765.82   1.917     55
    764.54   1.914     98

in CDCl3