534-22-5

2-甲基呋喃(534-22-5)红外图谱(IR2)

产品名称:2-甲基呋喃

CAS:534-22-5

分子式:C5H6O

分子量: 82.1

InChI:InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3

InChIKey: VQKFNUFAXTZWDK-UHFFFAOYSA-N

Smiles:O1C=CC=C1C

Mass

MS-NW-0692          
2-methylfuran
C5H6O               (Mass of molecular ion:     82)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.7
      26.0       5.2
      27.0      23.2
      28.0       9.1
      29.0       3.0
      37.0       3.2
      38.0       4.8
      39.0      38.0
      40.0       1.4
      41.0       1.9
      43.0       4.1
      49.0       2.0
      50.0       9.3
      51.0      10.8
      52.0       6.1
      53.0      61.6
      54.0      13.6
      55.0       2.2
      80.0       1.0
      81.0      58.3
      82.0     100.0
      83.0       5.7

parameter in cyclohexane

400 MHz in CDCl3

¹H NMR	300 MHz
C₅ H₆ O	33 % in cyclohexane
2-methylfuran

    Parameter     ppm  Hz

      D(A)         7.159
      D(B)         6.146
      D(C)         5.818
      D(D)         2.183
       J(A,B)          1.90
       J(A,C)          0.90
       J(A,D)         -0.40
       J(B,C)          3.15
       J(B,D)          0.45
       J(C,D)         -1.00
     
     RODMAR,S. ET AL. ACTA CHEM.SCAND. 19, 485 (1965)

     Hz     ppm     Int.

   2148.46   7.162    199
   2148.00   7.160    195
   2146.99   7.157    204
   1846.27   6.154    126
   1844.29   6.148    148
   1843.46   6.145    151
   1841.48   6.138    128
   1747.90   5.826    123
   1746.98   5.823    171
   1746.01   5.820    147
   1744.85   5.816    144
   1743.84   5.813    163
   1742.92   5.810    115
    654.92   2.183   1000
    654.50   2.182    969

¹H NMR	399.65 MHz
C₅ H₆ O	0.05 ml : 0.5 ml CDCl₃
2-methylfuran

    Assign.     Shift(ppm)

      A             7.248
      B             6.234
      C             5.934
      D             2.262
     
     J(A,B)=1.8HZ
     J(A,C)=1.0HZ
     J(A,D)=0.4HZ
     J(B,D)=0.4HZ
     J(B,C)=3.2HZ
     J(C,D)=1.0HZ

     Hz     ppm     Int.

   2898.07   7.252    300
   2897.58   7.251    312
   2897.22   7.250    291
   2896.61   7.248    300
   2896.24   7.247    312
   2895.75   7.246    296
   2895.39   7.245    274
   2494.14   6.241    263
   2493.65   6.240    226
   2492.31   6.237    234
   2491.82   6.236    265
   2491.46   6.235    209
   2490.97   6.233    248
   2490.60   6.232    263
   2489.14   6.229    252
   2488.65   6.228    233
   2375.12   5.944    108
   2374.15   5.941    256
   2373.17   5.939    315
   2372.19   5.936    284
   2370.97   5.933    265
   2370.00   5.931    290
   2369.02   5.928    227
   2368.04   5.926     93
    904.91   2.265    966
    904.42   2.264   1000
    904.05   2.263    875
    903.44   2.261    940
    902.95   2.260    844

in CDCl3