34328-61-5

3-氯-4-氟苯甲醛(34328-61-5)質(zhì)譜(MS)

產(chǎn)品名稱:3-氯-4-氟苯甲醛

CAS:34328-61-5

分子式:C7H4ClFO

分子量: 158.56

InChI:InChI=1S/C7H4ClFO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H

InChIKey: GVORVQPNNSASDM-UHFFFAOYSA-N

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

Mass

MS-IW-9539          
3-chloro-4-fluorobenzaldehyde
C7H4ClFO            (Mass of molecular ion:    158)

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

      28.0       1.8
      29.0       3.8
      31.0       2.5
      36.0       1.6
      37.0       2.9
      38.0       1.8
      39.0       1.1
      49.0       1.6
      50.0       9.0
      51.0       2.4
      57.0       1.4
      61.0       3.3
      62.0       2.8
      63.0       3.8
      64.5       1.2
      68.0       7.3
      69.0       5.7
      70.0       1.2
      73.0       3.3
      74.0      10.2
      75.0      11.5
      78.5       1.2
      84.0       1.5
      85.0       1.1
      91.0       1.0
      92.0       2.8
      93.0      11.3
      94.0      14.3
      95.0      16.6
      96.0       1.2
     103.0       1.1
     109.0       7.6
     111.0       2.6
     128.0       1.3
     129.0      62.3
     130.0       8.5
     131.0      20.3
     132.0       2.7
     157.0     100.0
     158.0      67.9
     159.0      37.2
     160.0      21.8
     161.0       1.7
     174.0       4.7
     176.0       1.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₄ Cl F O	0.05 ml : 0.5 ml CDCl₃
3-chloro-4-fluorobenzaldehyde

    Assign.     Shift(ppm)

      A             9.943
      B             7.954
      C             7.822
      D             7.328

     Hz     ppm     Int.

   3973.85   9.944   1000
   3183.59   7.966    385
   3181.61   7.961    391
   3176.57   7.949    381
   3174.44   7.944    377
   3133.85   7.842    226
   3131.71   7.837    209
   3129.12   7.830    230
   3127.14   7.825    221
   3125.46   7.821    243
   3123.32   7.816    230
   3120.73   7.809    238
   3118.74   7.804    213
   2937.16   7.350    307
   2934.72   7.344     22
   2928.77   7.329    553
   2923.58   7.316     22
   2920.23   7.307    279

in CDCl3