3,4-二氟苯甲酰胺(85118-04-3)質譜(MS)

產品名稱:3,4-二氟苯甲酰胺

CAS:85118-04-3

分子式:C7H5F2NO

分子量: 157.12

InChI:InChI=1S/C7H5F2NO/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H2,10,11)

InChIKey: CMWOHNIHUBDEAG-UHFFFAOYSA-N

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

Mass

MS-NW-9582          
3,4-difluorobenzamide
C7H5F2NO            (Mass of molecular ion:    157)

   Source Temperature: 150 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       1.0
      44.0       6.0
      50.0       1.5
      57.0       1.1
      61.0       1.1
      62.0       2.8
      63.0      13.5
      65.0       3.4
      68.0       1.6
      74.0       1.4
      75.0       1.2
      81.0       1.1
      88.0       1.1
      93.0       2.2
      94.0       1.1
     101.0       1.1
     112.0       2.4
     113.0      63.5
     114.0       6.8
     140.0       1.0
     141.0     100.0
     142.0       7.7
     157.0      84.6
     158.0       7.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₅ F₂ N O	0.060 g : 0.5 ml DMSO-d₆
3,4-difluorobenzamide

    Assign.     Shift(ppm)

      A     *1      8.14
      B             7.951
      C             7.819
      D     *1      7.62
      E             7.552

     Hz     ppm     Int.

   3254.64   8.144    600
   3188.72   7.979    616
   3186.52   7.974    647
   3180.79   7.959    640
   3178.71   7.954    712
   3177.00   7.950    670
   3174.80   7.944    676
   3169.19   7.930    604
   3166.99   7.925    645
   3133.67   7.842    416
   3132.32   7.838    476
   3131.47   7.836    429
   3130.13   7.833    431
   3129.15   7.830    477
   3127.81   7.827    508
   3127.08   7.825    445
   3125.61   7.821    524
   3125.12   7.820    569
   3123.66   7.816    568
   3122.92   7.815    527
   3121.46   7.811    515
   3120.61   7.809    531
   3119.14   7.805    547
   3118.41   7.803    486
   3117.07   7.800    397
   3046.51   7.623    610
   3031.49   7.586    712
   3027.10   7.575     74
   3023.19   7.565   1000
   3020.87   7.559    742
   3014.65   7.544    662
   3012.70   7.539    974
   3004.15   7.517    576

in DMSO-d6