5-(2-BENZOTHIAZOLYL)-1-(4-NITROPHENYL)-3-PHENYLFORMAZAN(52644-49-2) IR1
Molecular FormulaC20H14N6O2S
Molecular Weight402.43
InChIInChI=1S/C20H14N6O2S/c27-26(28)16-12-10-15(11-13-16)22-23-19(14-6-2-1-3-7-14)24-25-20-21-17-8-4-5-9-18(17)29-20/h1-13,22H
InChIKey WEVAQIIWOIRBRA-UHFFFAOYSA-N
SmilesC(=NNC1=CC=C([N+]([O-])=O)C=C1)(N=NC1=NC2=CC=CC=C2S1)C1=CC=CC=C1
400 MHz in CDCl3
-
1H NMR 399.65 MHz C20 H14 N6 O2 S saturated in CDCl3 5-(2-benzothiazolyl)-1-(p-nitrophenyl)-3-phenylformazan 
Assign. Shift(ppm)
A 15. B 8.331 C 8.086 D 8.036 E 7.867 F 7.829 G 7.53 J 7.50 K 7.45 L 7.44 ASSIGNED BY H-H COSY.
Hz ppm Int.3337.40 8.351 130 3334.72 8.345 882 3332.52 8.339 272 3329.83 8.332 71 3327.39 8.326 322 3325.44 8.321 1000 3322.75 8.315 113 3236.82 8.100 464 3235.35 8.096 625 3233.15 8.090 174 3229.98 8.083 337 3228.27 8.078 642 3227.05 8.075 476 3224.61 8.069 70 3215.82 8.047 270 3207.76 8.027 290 3148.93 7.880 290 3148.19 7.878 280 3141.11 7.860 332 3140.14 7.858 315 3137.94 7.852 57 3135.99 7.847 151 3133.30 7.841 961 3131.10 7.835 275 3126.22 7.823 302 3124.02 7.817 864 3121.34 7.811 96 3016.11 7.547 150 3014.89 7.544 151 3008.79 7.529 302 3007.57 7.526 419 3005.86 7.522 335 3003.91 7.517 143 3000.73 7.509 392 2998.78 7.504 708 2997.31 7.500 278 2996.83 7.499 274 2995.36 7.495 80 2994.38 7.493 98 2992.68 7.489 287 2991.21 7.485 512 2988.77 7.479 94 2985.11 7.470 228 2983.64 7.466 372 2982.18 7.462 282 2981.45 7.461 297 2980.22 7.458 274 2979.00 7.455 164 2976.56 7.448 362 2973.39 7.440 378 2970.70 7.434 91 2969.24 7.430 117 2968.02 7.427 81 2966.06 7.422 158 2965.09 7.420 147
in CDCl3
KBr disc
4880 A,200 M,liquid
