Furfuryl alcohol(98-00-0) ¹³C NMR

Product NameFurfuryl alcohol

CAS 98-00-0

Molecular FormulaC5H6O2

Molecular Weight98.1

InChIInChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2

InChIKey XPFVYQJUAUNWIW-UHFFFAOYSA-N

SmilesO1C=CC=C1CO

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Mass

MS-NW-5551          
furfuryl alcohol
C5H6O2              (Mass of molecular ion:     98)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      14.0       1.8
      15.0       2.7
      17.0       1.0
      18.0       4.2
      25.0       1.2
      26.0       6.1
      27.0      23.3
      28.0       6.2
      29.0      22.3
      30.0       1.8
      31.0      14.2
      35.0       1.2
      36.0       1.1
      37.0       8.5
      38.0      14.4
      39.0      51.1
      40.0       7.1
      41.0      68.1
      42.0      39.4
      43.0      11.6
      44.0       8.9
      48.5       2.8
      49.0       2.6
      50.0      10.2
      51.0      15.5
      52.0      12.8
      53.0      47.0
      54.0       3.4
      55.0      14.6
      56.0       1.8
      57.0       1.6
      66.0       1.4
      67.0       1.6
      68.0       3.3
      69.0      32.7
      70.0      30.2
      71.0       3.1
      79.0       1.5
      80.0       1.7
      81.0      57.1
      82.0       5.2
      95.0       7.0
      96.0       2.1
      97.0      52.5
      98.0     100.0
      99.0       6.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₆ O₂	0.04 ml : 0.5 ml CDCl₃
furfuryl alcohol

    Assign.     Shift(ppm)

      A             7.368
      B             6.312
      C             6.257
      D             4.543
      E             2.70
     
     J(A,B)=1.8HZ. J(A,C)=0.9HZ. J(B,C)=3.2HZ.

     Hz     ppm     Int.

    661.38   7.385    336
    660.50   7.375    336
    659.63   7.366    376
    658.69   7.355    378
    568.63   6.350    110
    566.81   6.329     98
    565.38   6.313    291
    563.63   6.294    306
    561.75   6.273    272
    561.25   6.267    274
    560.88   6.263    285
    558.56   6.237    108
    558.06   6.232    100
    557.63   6.227     99
    557.13   6.221     60
    406.88   4.544   1000
    241.75   2.700    440

in CDCl3