53518-15-3

香豆素 151(53518-15-3)Raman光谱

产品名称:香豆素 151

CAS:53518-15-3

分子式:C10H6F3NO2

分子量: 229.16

InChI:InChI=1S/C10H6F3NO2/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4H,14H2

InChIKey: JBNOVHJXQSHGRL-UHFFFAOYSA-N

Smiles:C1(=O)OC2=CC(N)=CC=C2C(C(F)(F)F)=C1

Mass

MS-NW-7827          
7-amino-4-(trifluoromethyl)coumarin
C10H6F3NO2          (Mass of molecular ion:    229)

   Source Temperature: 160 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      28.0       5.0
      38.0       1.5
      39.0       2.1
      40.0       1.8
      41.0       2.9
      50.0       3.4
      51.0       6.2
      51.5       1.6
      52.0      12.9
      53.0       2.0
      54.0       1.7
      57.0       1.0
      61.0       1.5
      62.0       3.5
      63.0       5.2
      64.0       1.1
      65.0       1.1
      68.0       3.1
      69.0       3.2
      74.0       1.6
      75.0       4.3
      75.5       1.5
      76.0       4.4
      76.5       1.4
      77.0       6.9
      78.0       2.6
      79.0       1.9
      80.0       1.3
      81.0       1.7
      86.0       1.2
      86.5       1.9
      87.0       1.8
      89.0       2.4
      91.0       2.0
      95.0       1.3
      96.0       1.8
      99.0       1.2
     100.5       9.6
     101.0       1.6
     102.0       2.1
     103.0       2.2
     104.0      15.9
     105.0       1.6
     107.0       1.9
     116.0       1.5
     122.0       2.0
     123.0       1.5
     125.0       3.2
     126.0       2.4
     127.0       2.0
     132.0       1.2
     145.0       4.6
     146.0       3.4
     152.0       4.7
     153.0       2.6
     154.0       1.4
     172.0      26.0
     173.0      12.5
     174.0       1.4
     180.0       1.1
     182.0       2.6
     200.0       2.4
     201.0     100.0
     202.0      10.3
     210.0       4.2
     228.0       2.2
     229.0      87.2
     230.0      10.0
     231.0       1.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₆ F₃ N O₂	0.040 g : 0.5 ml DMSO-d₆
7-amino-4-(trifluoromethyl)coumarin

    Assign.     Shift(ppm)

      A             7.369
      B             6.680
      C             6.56
      D             6.535
      E             6.438

     Hz     ppm     Int.

   2950.93   7.384    219
   2948.85   7.379    238
   2946.78   7.374    110
   2942.02   7.362    247
   2940.06   7.357    245
   2937.99   7.352     98
   2675.42   6.695    402
   2673.10   6.689    418
   2666.50   6.673    390
   2664.31   6.667    417
   2620.12   6.557    299
   2613.04   6.539   1000
   2610.84   6.533    888
   2602.54   6.513     39
   2601.93   6.511     37
   2600.22   6.507     31
   2599.85   6.506     30
   2573.00   6.439    979

in DMSO-d6