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5-Iodovanillin

Product Name 5-Iodovanillin

CAS5438-36-8

MFC8H7IO3

MW278.04

¹³CNMR

Mass

MS-NW-8059          
4-hydroxy-3-iodo-5-methoxybenzaldehyde
C8H7IO3             (Mass of molecular ion:    278)

   Source Temperature: 170 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      15.0       1.9
      17.0       1.8
      18.0       8.0
      28.0       2.9
      29.0       4.2
      37.0       2.2
      38.0       2.4
      39.0       4.1
      41.0       2.2
      43.0       1.0
      49.0       3.0
      50.0      12.2
      51.0      18.4
      52.0      10.7
      53.0      12.6
      54.0       1.3
      55.0       1.8
      61.0       4.1
      62.0       7.4
      63.0       7.0
      64.0       3.1
      65.0       5.4
      66.0       3.3
      67.0       2.0
      74.0       1.2
      77.0       6.1
      78.0       2.1
      79.0      18.2
      80.0       4.9
      90.0       1.2
      91.0       3.3
      92.0       3.0
      93.0       1.0
      94.0       4.3
      95.0       1.1
     107.0       7.1
     108.0       5.6
     119.0       1.5
     121.0       2.1
     122.0       4.3
     127.0       3.8
     128.0       1.5
     135.0      11.2
     136.0       9.8
     151.0       1.3
     177.0       1.0
     179.0       2.0
     207.0       5.6
     221.0       1.4
     234.0       1.8
     235.0      11.5
     249.0       3.7
     263.0       4.2
     277.0      47.2
     278.0     100.0
     279.0       9.1
     280.0       1.0

90 MHz in DMSO-d6

400 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₈ H₇ I O₃	0.040 g : 0.5 ml DMSO-d₆
4-hydroxy-3-iodo-5-methoxybenzaldehyde

    Assign.     Shift(ppm)

      A             9.759
      B             7.889
      C             7.424
      D             3.908
     
     J(B,C)=1.7HZ

     Hz     ppm     Int.

    874.07   9.760    517
    707.52   7.900    239
    705.76   7.881    245
    665.48   7.431    200
    663.79   7.412    178
    350.10   3.910   1000
    345.85   3.862     43
    344.53   3.847     24

¹H NMR	399.65 MHz
C₈ H₇ I O₃	0.030 g : 0.5 ml DMSO-d₆
4-hydroxy-3-iodo-5-methoxybenzaldehyde

    Assign.     Shift(ppm)

      A            10.8
      B             9.762
      C             7.894
      D             7.423
      E             3.907
     
     J(C,D)=1.7HZ
     90MHZ:HSP-06-266 IN DMSO-D6

     Hz     ppm     Int.

   3901.45   9.763    555
   3155.78   7.897    251
   3154.13   7.893    282
   2967.48   7.426    199
   2965.83   7.422    211
   1561.68   3.908   1000

in DMSO-d6

KBr disc

nujol mull

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