PHENOLPHTHALEIN DISULFATE POTASSIUM SALT(52322-16-4) IR2
Product NamePHENOLPHTHALEIN DISULFATE POTASSIUM SALT
CAS52322-16-4
Molecular FormulaC20H15KO10S2
Molecular Weight518.55
InChIInChI=1S/C20H16O11S2.3K/c21-19(22)17-3-1-2-4-18(17)20(23,13-5-9-15(10-6-13)30-32(24,25)26)14-7-11-16(12-8-14)31-33(27,28)29;;;/h1-12,23H,(H,21,22)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3
InChIKey PLHSVCWOEHYSHO-UHFFFAOYSA-K
SmilesC(O)(C1C=CC(OS([O-])(=O)=O)=CC=1)(C1C=CC(OS([O-])(=O)=O)=CC=1)C1=CC=CC=C1C([O-])=O.[K+].[K+].[K+]
400 MHz in D2O
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1H NMR 399.65 MHz C20 H13 K3 O10 S2 0.028 g : 0.5 ml D2O phenolphthalein disulfate tripotassium salt 
Assign. Shift(ppm)
A 7.648 B 7.422 C 7.316 D 7.28 E 7.26 F 6.706
Hz ppm Int.3060.55 7.659 99 3059.08 7.655 114 3052.73 7.639 122 3051.51 7.636 126 2974.98 7.444 64 2973.63 7.441 67 2967.41 7.426 132 2966.19 7.422 134 2959.84 7.407 87 2958.62 7.404 82 2934.20 7.342 30 2932.50 7.338 60 2930.42 7.333 317 2927.98 7.327 149 2926.15 7.322 60 2925.78 7.321 60 2923.71 7.316 221 2921.26 7.310 953 2919.07 7.305 216 2916.63 7.298 77 2916.26 7.298 79 2914.31 7.293 251 2912.23 7.287 1000 2909.79 7.281 241 2905.40 7.270 238 2903.08 7.265 338 2901.49 7.261 69 2901.00 7.259 69 2898.93 7.254 85 2897.34 7.250 72 2683.84 6.716 114 2682.98 6.714 117 2675.78 6.696 111 2674.93 6.694 109
KBr disc
nujol mull
