Sulforhodamine B(3520-42-1) ¹H NMR

Molecular FormulaC27H31N2NaO7S2

Molecular Weight582.66

InChIInChI=1S/C27H30N2O7S2.Na/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35;/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1/p-1

InChIKey SXQCTESRRZBPHJ-UHFFFAOYSA-M

SmilesC1(C2C=CC(S(O[Na])(=O)=O)=CC=2S([O-])(=O)=O)=C2C=C/C(=[N+](/CC)\CC)/C=C2OC2C=C(C=CC1=2)N(CC)CC

Request For Quotation

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₂₇ H₂₉ N₂ Na O₇ S₂	saturated in DMSO-d₆
Acid Red

    Assign.     Shift(ppm)

      A             8.294
      B             7.751
      C             7.174
      D     *1      7.04
      E     *1      7.03
      F             6.92
      G             3.64
      J             1.206

     Hz     ppm     Int.

   3315.55   8.297    199
   3313.96   8.293    196
   3102.78   7.764     95
   3101.07   7.760     90
   3094.97   7.745    104
   3093.38   7.741    101
   2871.09   7.185    153
   2863.28   7.165    150
   2811.77   7.036    704
   2805.42   7.020     34
   2805.05   7.019     33
   2804.69   7.018     32
   2802.49   7.013     44
   2765.75   6.921    308
   1472.29   3.684     30
   1471.80   3.683     31
   1471.31   3.682     30
   1470.95   3.681     30
   1463.50   3.662    131
   1463.13   3.662    132
   1462.40   3.660    130
   1461.79   3.658    130
   1456.67   3.645    327
   1448.97   3.626    330
   1443.73   3.613    138
   1443.12   3.611    138
   1442.63   3.610    139
   1442.02   3.609    139
   1441.65   3.608    139
   1435.42   3.592     36
   1435.06   3.591     36
   1433.84   3.588     37
    488.77   1.223    503
    481.93   1.206   1000
    474.85   1.189    492
    464.84   1.164     31

in DMSO-d6