5,7-二碘-8-羥基喹啉(83-73-8)核磁圖(¹³CNMR)

產(chǎn)品名稱:5,7-二碘-8-羥基喹啉

CAS:83-73-8

分子式:C9H5I2NO

分子量: 396.95

InChI:InChI=1S/C9H5I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H

InChIKey: UXZFQZANDVDGMM-UHFFFAOYSA-N

Smiles:N1C2C(=C(I)C=C(I)C=2O)C=CC=1

Mass

MS-NW-7018          
5,7-diiodo-8-quinolinol
C9H5I2NO            (Mass of molecular ion:    397)

   Source Temperature: 190 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       2.4
      28.0       1.3
      37.0       1.4
      38.0       1.6
      39.0       2.2
      50.0       1.9
      51.0       1.3
      53.0       1.0
      57.5       4.7
      61.0       3.6
      62.0       8.5
      63.0       4.8
      64.0       1.9
      65.0       1.1
      74.0       1.8
      75.0       1.5
      76.0       1.4
      85.0       1.4
      86.0       3.3
      87.0       6.6
      88.0      10.5
      89.0       2.6
     114.0       7.4
     115.0      28.5
     116.0       4.0
     120.5       1.0
     121.0       4.7
     127.0       3.7
     128.0       2.4
     135.0       1.8
     143.0       9.9
     144.0       1.3
     184.5       2.4
     198.5       3.5
     241.0       1.8
     242.0      20.4
     243.0       2.2
     269.0       1.1
     270.0       9.5
     271.0       3.7
     305.0       2.0
     369.0       3.1
     397.0     100.0
     398.0      10.5

400 MHz in DMSO-d6 at 60C

¹H NMR	399.65 MHz
C₉ H₅ I₂ N O	0.030 g : 0.5 ml DMSO-d₆ at 60 C
5,7-diiodo-8-quinolinol

    Assign.     Shift(ppm)

      A             8.870
      B             8.333
      C             8.288
      D             7.717

     Hz     ppm     Int.

   3547.97   8.878    228
   3546.51   8.875    279
   3543.82   8.868    267
   3542.36   8.864    280
   3330.44   8.334   1000
   3317.75   8.302    248
   3316.16   8.298    292
   3309.20   8.281    282
   3307.62   8.277    310
   3090.45   7.733    278
   3086.18   7.723    287
   3081.91   7.712    268
   3077.64   7.701    273

DMSO-d6