915-67-3

Acid Red 27(915-67-3) IR2

Molecular FormulaC20H11N2Na3O10S3

Molecular Weight604.47

InChIInChI=1S/C20H14N2O10S3.3Na/c23-20-18(35(30,31)32)10-11-9-12(33(24,25)26)5-6-13(11)19(20)22-21-16-7-8-17(34(27,28)29)15-4-2-1-3-14(15)16;;;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3/b22-21+;;;

InChIKey WLDHEUZGFKACJH-ZRUFZDNISA-K

SmilesC12C=CC(S([O-])(=O)=O)=CC1=CC(S([O-])(=O)=O)=C(O)C=2/N=N/C1C=CC(S([O-])(=O)=O)=C2C=CC=CC=12.[Na+].[Na+].[Na+]

Request For Quotation

400 MHz in DMSO-d6

Acid Red 27(915-67-3) IR2

¹H NMR	399.65 MHz
C₂₀ H₁₁ N₂ Na₃ O₁₀ S₃	saturated in DMSO-d₆
amaranth

    Assign.     Shift(ppm)

      A            17.4
      B             9.013
      C             8.563
      D             8.37
      E             8.366
      F     *1      8.254
      G     *1      8.153
      J             8.024
      K             7.879
      L             7.773
      M             7.711
     
     ASSIGNED BY H-H COSY

     Hz     ppm     Int.

   6979.98  17.466     40
   6974.12  17.451    459
   6969.48  17.439     52
   6968.50  17.437     38
   3610.11   9.034     32
   3606.45   9.025    333
   3603.27   9.017     45
   3602.78   9.015     38
   3602.29   9.014     40
   3601.81   9.013     40
   3598.63   9.005    326
   3597.90   9.003    354
   3426.76   8.575    399
   3422.85   8.565     49
   3422.12   8.563     49
   3421.39   8.561     54
   3418.21   8.554    426
   3415.28   8.546     45
   3355.22   8.396     34
   3354.49   8.394     38
   3350.34   8.384    290
   3347.41   8.376    129
   3343.75   8.367   1000
   3337.16   8.351     47
   3336.18   8.348     38
   3307.62   8.277     32
   3303.71   8.267    379
   3299.80   8.257     49
   3299.32   8.256     56
   3295.65   8.247    549
   3292.48   8.239     50
   3291.99   8.238     43
   3291.26   8.236     34
   3262.21   8.163    687
   3258.30   8.153     43
   3257.32   8.151     45
   3256.59   8.149     45
   3254.15   8.143    518
   3251.71   8.137     41
   3207.52   8.026    529
   3206.30   8.023    541
   3154.05   7.893    329
   3152.34   7.888    304
   3149.66   7.882     49
   3148.93   7.880     47
   3145.51   7.871    313
   3144.04   7.867    306
   3115.72   7.797    124
   3114.50   7.794    140
   3112.06   7.787     49
   3108.64   7.779    225
   3107.67   7.776    281
   3104.00   7.767     56
   3102.78   7.764     52
   3100.59   7.759    203
   3099.37   7.756    200
   3096.44   7.748     32
   3089.11   7.730    230
   3088.13   7.728    243
   3085.45   7.721     43
   3084.23   7.718     56
   3080.81   7.709    273
   3079.83   7.707    246
   3077.15   7.700     47
   3076.66   7.699     43
   3076.17   7.698     40
   3073.97   7.692    149
   3073.00   7.690    149

KBr disc