糠偶姻(552-86-3)核磁圖(¹³CNMR)

產(chǎn)品名稱:糠偶姻

CAS:552-86-3

分子式:C10H8O4

分子量: 192.17

InChI:InChI=1S/C10H8O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H

InChIKey: MIJRFWVFNKQQDK-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC=CO1)C(C1=CC=CO1)O

Mass

MS-NW-0508          
2,2'-furoin
C10H8O4             (Mass of molecular ion:    192)

   Source Temperature: 170 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       1.2
      27.0       1.5
      28.0       1.2
      29.0       4.8
      37.0       1.6
      38.0       4.6
      39.0      23.4
      40.0       2.4
      41.0      23.4
      42.0       1.2
      50.0       1.0
      51.0       3.0
      52.0       1.4
      67.0       1.7
      68.0       4.7
      69.0       8.2
      95.0      24.9
      96.0       2.8
      97.0     100.0
      98.0       5.8
     147.0       1.1
     163.0       2.3
     192.0       6.8

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₈ O₄	0.041 g : 0.5 ml DMSO-d₆
2,2'-furoin

    Assign.     Shift(ppm)

      A             8.008
      B             7.611
      C             7.543
      D             6.703
      E             6.445
      F             6.428
      G             6.2
      J             5.825
     
     J(A,D)=1.7HZ
     J(A,C)=0.7HZ
     J(C,D)=3.7HZ
     J(B,F)=1.8HZ
     J(B,E)=1.0HZ
     J(E,F)=3.3HZ
     J(E,J)=0.5HZ

     Hz     ppm     Int.

   3201.78   8.012    749
   3201.05   8.010    845
   3200.20   8.008    827
   3199.46   8.006    816
   3043.33   7.615    769
   3042.36   7.613    895
   3041.50   7.611    859
   3040.65   7.609    780
   3016.85   7.549    712
   3016.11   7.547    755
   3013.18   7.540    730
   3012.57   7.539    756
   2681.64   6.710    754
   2679.93   6.706    737
   2677.98   6.701    715
   2676.27   6.697    711
   2578.13   6.451    361
   2577.76   6.451    388
   2577.27   6.449    351
   2574.95   6.444    821
   2574.46   6.442    832
   2573.97   6.441    732
   2570.80   6.433    804
   2568.97   6.429    773
   2567.50   6.425    372
   2565.67   6.420    367
   2458.13   6.151     30
   2328.00   5.826   1000

in DMSO-d6