3,4-二氟苯甲醛(34036-07-2)核磁圖(¹HNMR)

產(chǎn)品名稱:3,4-二氟苯甲醛

CAS:34036-07-2

分子式:C7H4F2O

分子量: 142.1

InChI:InChI=1S/C7H4F2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H

InChIKey: JPHKMYXKNKLNDF-UHFFFAOYSA-N

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

Mass

MS-IW-7602          
3,4-difluorobenzaldehyde
C7H4F2O             (Mass of molecular ion:    142)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      29.0       2.8
      31.0       2.5
      37.0       1.9
      38.0       1.7
      39.0       1.0
      50.0       4.6
      51.0       1.1
      56.0       1.3
      57.0       5.0
      61.0       2.8
      62.0       4.9
      63.0      24.5
      64.0       2.1
      68.0       3.8
      69.0       2.2
      70.0       1.1
      74.0       3.3
      75.0       3.6
      81.0       2.7
      87.0       1.3
      88.0       5.7
      92.0       1.4
      93.0       3.8
      94.0       3.1
      95.0       1.1
     112.0       2.4
     113.0      74.5
     114.0      13.0
     141.0     100.0
     142.0      93.1
     143.0       7.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₄ F₂ O	0.05 ml : 0.5 ml CDCl₃
3,4-difluorobenzaldehyde

    Assign.     Shift(ppm)

      A             9.954
      B             7.73
      C             7.71
      D             7.374

     Hz     ppm     Int.

   3979.34   9.958    986
   3977.36   9.953   1000
   3098.75   7.754    244
   3096.77   7.749    352
   3090.82   7.734    271
   3089.90   7.732    503
   3088.53   7.729    573
   3087.31   7.726    259
   3086.55   7.724    429
   3085.48   7.721    428
   3083.65   7.716    193
   3082.89   7.714    363
   3081.67   7.711    340
   3080.90   7.709    518
   3079.22   7.705    494
   3078.31   7.703    481
   3077.24   7.700    345
   3076.32   7.698    148
   3075.26   7.695    243
   3072.81   7.689     31
   2959.90   7.407    286
   2952.88   7.389    256
   2951.51   7.386    282
   2950.29   7.383    299
   2943.27   7.365    316
   2941.89   7.362    301
   2940.52   7.358     83
   2934.27   7.343    228

in CDCl3