Sulforhodamine B(3520-42-1) Raman
Product NameSulforhodamine B
CAS3520-42-1
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
400 MHz in DMSO-d6
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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
KBr disc
nujol mull
