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614-99-3

2-糠酸乙酯(614-99-3)紅外圖譜(IR2)

產(chǎn)品名稱:2-糠酸乙酯

CAS:614-99-3

分子式:C7H8O3

分子量: 140.14

InChI:InChI=1S/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3

InChIKey: NHXSTXWKZVAVOQ-UHFFFAOYSA-N

Smiles:O1C=CC=C1C(OCC)=O

  • 圖譜
    Mass 

    MS-NW-2909          
ethyl 2-furoate
C7H8O3              (Mass of molecular ion:    140)


       Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV


          15.0       1.2
      26.0       1.7
      27.0       6.9
      28.0       1.7
      29.0       9.2
      37.0       2.4
      38.0       5.7
      39.0      20.6
      40.0       2.2
      42.0       1.0
      45.0       6.9
      55.0       1.4
      67.0       2.5
      68.0       9.5
      84.0       2.8
      95.0     100.0
      96.0      20.4
      97.0       2.5
     112.0      46.1
     113.0       2.9
     140.0      23.2
     141.0       2.0

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C7 H8 O3 0.042 g : 0.5 ml CDCl3
    ethyl 2-furoate
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             1.380
      B             4.363
      C             6.500
      D             7.170
      E             7.569
  

         Hz     ppm     Int.


        679.31   7.585    231
    678.44   7.576    253
    677.50   7.565    254
    676.63   7.556    253
    644.38   7.195    250
    643.50   7.186    241
    640.88   7.156    280
    640.00   7.147    265
    584.69   6.529    284
    582.94   6.509    270
    581.19   6.490    257
    579.44   6.470    249
    401.81   4.487    115
    394.50   4.405    439
    387.38   4.326    462
    380.44   4.248    139
    130.44   1.457    465
    123.38   1.378   1000
    116.19   1.298    411

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

4880 A,200 M,powder

  • 圖譜

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