326-90-9

三氟-1-（2-呋喃基）-1，3-丁二酮(326-90-9)紅外圖譜(IR2)

產(chǎn)品名稱(chēng):三氟-1-（2-呋喃基）-1，3-丁二酮

CAS:326-90-9

分子式:C8H5F3O3

分子量: 206.12

InChI:InChI=1S/C8H5F3O3/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2

InChIKey: OWLPCALGCHDBCN-UHFFFAOYSA-N

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

Mass

MS-NW-2207          
1,1,1-trifluoro-4-(2-furyl)-4-hydroxy-3-buten-2-one
C8H5F3O3            (Mass of molecular ion:    206)

   Source Temperature: 270 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      14.0       1.0
      18.0       1.7
      26.0       1.3
      27.0       7.3
      28.0       2.8
      29.0       4.4
      31.0       1.1
      37.0       3.4
      38.0       8.1
      39.0      27.3
      40.0       2.2
      41.0       2.9
      42.0       3.7
      50.0       2.7
      51.0       5.1
      52.0       2.4
      53.0      10.8
      54.0       1.0
      55.0       3.0
      62.0       1.3
      63.0       3.0
      64.0       1.1
      65.0       5.1
      66.0       1.4
      67.0       3.1
      68.0       1.7
      68.5       4.4
      69.0      73.9
      70.0       2.7
      79.0       1.4
      81.0       4.2
      91.0       1.4
      92.0       1.3
      93.0       1.2
      95.0     100.0
      96.0       5.5
     108.0       1.3
     110.0       1.0
     137.0      88.8
     138.0       6.6
     139.0       1.7
     178.0       1.7
     206.0      45.4
     207.0       4.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₅ F₃ O₃	0.05 ml : 0.5 ml CDCl₃
1,1,1-trifluoro-4-(2-furyl)-4-hydroxy-3-buten-2-one

    Assign.     Shift(ppm)

      A            13.
      B             7.679
      C             7.336
      D             6.633
      E             6.488

     Hz     ppm     Int.

    689.01   7.694    359
    688.24   7.685    390
    687.36   7.675    385
    686.59   7.667    358
    661.96   7.392     34
    659.44   7.364    328
    658.67   7.355    311
    655.81   7.323    365
    655.04   7.314    336
    652.51   7.286     48
    596.78   6.664    319
    595.02   6.644    323
    593.15   6.623    306
    591.39   6.604    294
    589.85   6.587     52
    581.17   6.490   1000

in CDCl3