455-37-8

間氟苯甲酰胺(455-37-8)質譜(MS)

產(chǎn)品名稱:間氟苯甲酰胺

CAS:455-37-8

分子式:C7H6FNO

分子量: 139.13

InChI:InChI=1S/C7H6FNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)

InChIKey: YPIGHNIIXYSPKF-UHFFFAOYSA-N

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

Mass

MS-NW-6919          
m-fluorobenzamide
C7H6FNO             (Mass of molecular ion:    139)

   Source Temperature: 280 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       1.0
      31.0       1.4
      37.0       1.9
      38.0       1.6
      39.0       2.9
      44.0      10.4
      45.0       1.1
      49.0       1.6
      50.0       9.8
      51.0       4.6
      55.5       1.9
      57.0       2.8
      61.0       1.6
      62.0       2.2
      63.0       2.5
      68.0       5.1
      69.0       7.0
      70.0       4.2
      73.0       1.4
      74.0       6.2
      75.0      25.6
      76.0       3.5
      83.0       1.9
      92.0       1.2
      93.0       2.1
      94.0       8.3
      95.0      83.8
      96.0      12.7
     121.0       9.9
     122.0       2.3
     123.0     100.0
     124.0       8.2
     139.0      74.5
     140.0       6.7

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₆ F N O	0.041 g : 0.5 ml DMSO-d₆
m-fluorobenzamide

    Assign.     Shift(ppm)

      A     *1      8.14
      B             7.777
      C             7.713
      D     *1      7.59
      E             7.536
      G             7.397

     Hz     ppm     Int.

   3251.71   8.137    462
   3112.55   7.789    847
   3104.74   7.769   1000
   3089.84   7.732    557
   3088.26   7.728    577
   3087.28   7.725    624
   3085.69   7.721    487
   3079.71   7.707    558
   3078.13   7.703    605
   3077.15   7.700    615
   3075.56   7.696    499
   3034.55   7.594    480
   3022.95   7.564    491
   3017.09   7.550    514
   3014.89   7.544    784
   3009.03   7.530    790
   3006.96   7.524    540
   3001.10   7.510    491
   2965.58   7.421    386
   2964.84   7.419    379
   2962.89   7.414    368
   2962.28   7.413    340
   2956.79   7.399    642
   2954.10   7.392    593
   2948.61   7.378    311
   2947.88   7.377    296
   2945.92   7.372    294
   2945.19   7.370    261

in DMSO-d6

in CDCl3