(S)-(-)-Tetrahydro-2-furoic acid(87392-07-2) IR1

Product Name(S)-(-)-Tetrahydro-2-furoic acid

CAS 87392-07-2

Molecular FormulaC5H8O3

Molecular Weight116.12

InChIInChI=1S/C5H8O3/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1

InChIKey UJJLJRQIPMGXEZ-BYPYZUCNSA-N

SmilesO1CCC[C@H]1C(O)=O

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¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9715          
(S)-(-)-tetrahydro-2-furancarboxylic acid
C5H8O3              (Mass of molecular ion:    116)

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

      15.0       1.6
      18.0       4.6
      26.0       2.3
      27.0      18.5
      28.0       7.0
      29.0       9.3
      31.0       2.2
      38.0       1.4
      39.0      11.5
      40.0       3.4
      41.0      35.4
      42.0      13.1
      43.0      57.0
      44.0       7.4
      45.0       5.5
      53.0       1.0
      55.0       1.9
      58.0       1.1
      68.0       1.8
      69.0       2.5
      70.0       2.0
      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
(S)-(-)-tetrahydro-2-furancarboxylic acid

    Assign.     Shift(ppm)

      A             9.58
      B             4.522
      C     *1      4.036
      D     *1      3.948
      E     *2      2.318
      F     *2      2.101
      G             1.965

     Hz     ppm     Int.

   3827.97   9.579    458
   1814.27   4.540    890
   1808.62   4.526    941
   1805.73   4.519    909
   1800.08   4.505    868
   1625.06   4.067    364
   1618.19   4.050    721
   1616.82   4.046    644
   1611.33   4.032    551
   1609.95   4.029   1000
   1603.24   4.012    555
   1587.83   3.974    533
   1581.12   3.957    885
   1574.40   3.940    637
   1573.03   3.937    621
   1566.16   3.919    361
    945.59   2.367    192
    938.57   2.349    279
    937.35   2.346    379
    932.92   2.335    298
    930.33   2.328    411
    929.11   2.325    326
    926.06   2.318    360
    924.68   2.314    515
    922.09   2.308    314
    917.82   2.297    532
    916.29   2.293    347
    909.58   2.276    299
    855.71   2.142    234
    850.07   2.128    305
    848.54   2.124    488
    842.90   2.110    633
    841.52   2.106    424
    835.88   2.092    691
    830.38   2.078    404
    828.86   2.074    325
    823.36   2.061    298
    805.66   2.016    145
    800.32   2.003    336
    797.27   1.995    368
    793.46   1.986    771
    790.25   1.978    748
    789.18   1.975    503
    786.74   1.969    906
    783.54   1.961    783
    782.32   1.958    729
    779.88   1.952    635
    776.67   1.944    418
    775.45   1.941    611
    772.86   1.934    230
    771.48   1.931    165
    769.96   1.927    160
    768.74   1.924    237

in CDCl3