3857-25-8

5-甲基-2-呋喃甲醇(3857-25-8)質(zhì)譜(MS)

產(chǎn)品名稱:5-甲基-2-呋喃甲醇

CAS:3857-25-8

分子式:C6H8O2

分子量: 112.13

InChI:InChI=1S/C6H8O2/c1-5-2-3-6(4-7)8-5/h2-3,7H,4H2,1H3

InChIKey: VOZFDEJGHQWZHU-UHFFFAOYSA-N

Smiles:O1C(C)=CC=C1CO

Mass

MS-NW-1337          
5-methylfurfuryl alcohol
C6H8O2              (Mass of molecular ion:    112)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       1.5
      15.0       5.9
      17.0       1.6
      18.0       7.6
      26.0       4.9
      27.0      19.7
      28.0       6.2
      29.0       8.0
      30.0       1.4
      31.0       8.7
      32.0       1.2
      37.0       2.5
      38.0       4.4
      39.0      23.1
      40.0       8.9
      41.0      37.0
      42.0       5.8
      43.0      74.1
      44.0       2.2
      47.0       1.0
      49.0       1.9
      50.0      12.3
      51.0      18.4
      52.0      11.3
      53.0      22.6
      54.0       2.0
      55.0      20.5
      55.5       1.3
      56.0       1.4
      58.0       2.1
      63.0       1.6
      65.0      12.7
      66.0       9.8
      67.0       8.7
      68.0       2.6
      69.0      26.8
      70.0       2.0
      77.0       1.5
      79.0       4.6
      80.0       4.2
      81.0       4.8
      82.0       1.6
      83.0       8.5
      84.0      18.2
      85.0       1.2
      91.0       1.0
      94.0      29.7
      95.0     100.0
      96.0      10.4
      97.0      38.8
      98.0       2.4
     105.0       2.5
     109.0       4.2
     110.0       2.7
     111.0      32.8
     112.0      95.2
     113.0       6.6
     133.0       1.7
     134.0       1.0
     161.0       2.4
     175.0       1.9
     176.0       8.2
     177.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₈ O₂	0.04 ml : 0.5 ml CDCl₃
5-methylfurfuryl alcohol

    Assign.     Shift(ppm)

      A             6.137
      B             5.896
      C             4.504
      D             2.33
      E             2.27

     Hz     ppm     Int.

    551.56   6.159    182
    551.19   6.155    173
    548.50   6.125    237
    548.13   6.121    227
    529.94   5.918    182
    528.88   5.906    175
    527.88   5.895    115
    526.88   5.883    145
    525.81   5.872    141
    403.38   4.505    732
    208.88   2.333    191
    203.75   2.276    993
    203.13   2.269   1000

in CDCl3