1563-38-8

呋喃酚(1563-38-8)核磁图(¹³CNMR)

产品名称:呋喃酚

CAS:1563-38-8

分子式:C10H12O2

分子量: 164.2

InChI:InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3

InChIKey: WJGPNUBJBMCRQH-UHFFFAOYSA-N

Smiles:O1C2=C(O)C=CC=C2CC1(C)C

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-4054          
2,2-dimethyl-2,3-dihydro-7-benzofuranol
C10H12O2            (Mass of molecular ion:    164)

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

      27.0       3.4
      28.0       1.5
      29.0       1.6
      39.0       9.8
      40.0       2.1
      41.0       7.0
      43.0       3.8
      50.0       2.0
      51.0       9.6
      52.0       3.5
      53.0       3.8
      55.0       5.6
      56.0       1.0
      63.0       2.7
      64.0       1.4
      65.0       6.5
      66.0       3.8
      67.0       2.2
      73.5       1.0
      74.0       1.1
      74.5       1.5
      77.0      13.9
      78.0       6.1
      79.0       4.2
      80.0       1.2
      81.0       1.5
      82.0       1.8
      89.0       1.3
      91.0      10.9
      92.0       1.9
      93.0       3.8
      94.0       5.1
      95.0       3.3
     102.0       1.4
     103.0      16.8
     104.0       1.9
     105.0       3.7
     106.0       2.1
     107.0       8.3
     108.0       1.5
     110.0       5.2
     115.0       3.5
     116.0       1.2
     117.0       8.0
     118.0       4.7
     119.0       2.7
     120.0       1.0
     121.0      21.3
     122.0      27.9
     123.0      28.8
     124.0       5.8
     127.0       1.6
     131.0      31.5
     132.0       3.9
     134.0       1.1
     135.0       6.1
     136.0       3.0
     137.0       1.3
     145.0       7.6
     146.0       6.9
     147.0      13.2
     148.0       3.0
     149.0      82.9
     150.0       8.3
     163.0       4.9
     164.0     100.0
     165.0      11.0
     166.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₂ O₂	0.05 ml : 0.5 ml CDCl₃
2,2-dimethyl-2,3-dihydro-7-benzofuranol

    Assign.     Shift(ppm)

      A             6.74
      B             6.69
      C             5.85
      D             3.007
      E             1.468

     Hz     ppm     Int.

   2698.97   6.754     41
   2695.92   6.746     68
   2693.73   6.741     38
   2692.75   6.738     71
   2691.77   6.736     47
   2689.58   6.730    121
   2686.04   6.721     93
   2678.96   6.704    254
   2675.78   6.696    141
   2672.61   6.688    233
   2669.43   6.680     22
   2668.70   6.678     29
   2337.65   5.850    316
   1201.78   3.008    410
    586.79   1.469   1000
    576.42   1.443     26

in CDCl3