PTH-TYROSINE(4332-95-0) 1H NMR
Product NamePTH-TYROSINE
CAS4332-95-0
Molecular FormulaC16H14N2O2S
Molecular Weight298.36
InChIInChI=1S/C16H14N2O2S/c19-13-8-6-11(7-9-13)10-14-15(20)18(16(21)17-14)12-4-2-1-3-5-12/h1-9,14,19H,10H2,(H,17,21)
InChIKey LCFDDJINTNHAEQ-UHFFFAOYSA-N
SmilesC1(=S)NC(CC2=CC=C(O)C=C2)C(=O)N1C1=CC=CC=C1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C16 H14 N2 O2 S 0.034 g : 0.5 ml DMSO-d6 5-(p-hydroxybenzyl)-3-phenyl-2-thioxo-4-imidazolidone 
Assign. Shift(ppm)
A 10.6 B 9.43 C 7.46 D 7.078 E 6.906 F 6.776 G 4.757 J *1 3.095 K *1 3.078
Hz ppm Int.4254.77 10.647 324 3769.93 9.434 1000 2997.70 7.501 86 2996.05 7.497 55 2994.59 7.494 135 2992.76 7.489 77 2990.74 7.484 89 2988.73 7.479 388 2985.25 7.470 174 2983.42 7.466 377 2981.40 7.461 850 2979.57 7.456 290 2978.47 7.453 185 2975.91 7.447 163 2974.62 7.444 133 2969.31 7.430 51 2967.66 7.426 50 2836.15 7.097 65 2833.40 7.090 533 2831.57 7.086 193 2826.81 7.074 202 2824.98 7.069 627 2822.23 7.062 92 2765.45 6.920 372 2763.43 6.915 337 2761.42 6.910 150 2759.04 6.904 180 2757.39 6.900 409 2755.74 6.896 366 2752.63 6.888 52 2715.08 6.794 82 2712.33 6.787 705 2710.31 6.782 221 2707.93 6.776 53 2705.74 6.771 204 2703.72 6.766 652 2700.97 6.759 84 1905.30 4.768 119 1901.45 4.758 256 1896.69 4.746 120 1247.36 3.122 32 1237.29 3.096 257 1234.73 3.090 297 1233.81 3.088 295 1230.51 3.079 245 1220.99 3.056 37 1216.41 3.044 30
in DMSO-d6
KBr disc
