4-羥基-6-甲基-2-吡喃酮(675-10-5)紅外圖譜(IR1)

產(chǎn)品名稱:4-羥基-6-甲基-2-吡喃酮

CAS:675-10-5

分子式:C6H6O3

分子量: 126.11

InChI:InChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3

InChIKey: NSYSSMYQPLSPOD-UHFFFAOYSA-N

Smiles:C1(=O)OC(C)=CC(O)=C1

Mass

MS-IW-1773          
4-hydroxy-6-methyl-2-pyrone
C6H6O3              (Mass of molecular ion:    126)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      14.0       1.5
      15.0       3.4
      25.0       1.0
      26.0       4.3
      27.0       8.6
      28.0       2.8
      29.0       4.9
      37.0       3.3
      38.0       5.7
      39.0      10.3
      40.0       2.9
      41.0       9.3
      42.0      32.2
      43.0      86.4
      44.0       2.9
      50.0       2.0
      51.0       1.6
      52.0       1.1
      53.0       3.8
      54.0       1.4
      55.0      17.8
      56.0       3.0
      58.0       1.4
      66.0       1.3
      68.0       2.0
      69.0     100.0
      70.0       5.3
      83.0       1.0
      84.0      10.8
      85.0      51.5
      86.0       2.5
      97.0       2.2
      98.0      95.3
      99.0       5.6
     111.0      31.9
     112.0       1.8
     126.0      85.2
     127.0       6.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₆ H₆ O₃	0.034 g : 0.5 ml DMSO-d₆
4-hydroxy-6-methyl-2-pyrone

    Assign.     Shift(ppm)

      A            11.6
      B             5.963
      C             5.226
      D             2.167

     Hz     ppm     Int.

   4645.29  11.624     64
   2385.74   5.970    208
   2384.83   5.968    236
   2383.55   5.965    235
   2382.63   5.962    202
   2090.11   5.230    261
   2089.75   5.229    262
   2087.91   5.225    253
   2087.55   5.224    251
    866.19   2.168   1000

in DMSO-d6