1,3-Diphenyl-2-thiourea(102-08-9) 13C NMR
Product Name1,3-Diphenyl-2-thiourea
CAS102-08-9
Molecular FormulaC13H12N2S
Molecular Weight228.31
InChIInChI=1S/C13H12N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
InChIKey FCSHMCFRCYZTRQ-UHFFFAOYSA-N
SmilesN(C1=CC=CC=C1)C(NC1=CC=CC=C1)=S
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MassMS-NW-8144 1,3-diphenylthiourea C13H12N2S (Mass of molecular ion: 228)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 4.3 27.0 1.7 28.0 3.3 32.0 1.3 34.0 2.4 37.0 1.2 38.0 2.6 39.0 8.3 40.0 2.1 41.0 1.9 46.5 1.8 50.0 6.3 51.0 22.5 52.0 3.3 54.0 1.6 62.0 1.2 63.0 3.9 64.0 4.3 65.0 13.0 66.0 18.5 67.0 2.0 67.5 2.3 74.0 1.8 75.0 1.8 76.0 3.3 77.0 51.4 78.0 4.9 90.0 1.1 91.0 7.6 92.0 9.8 93.0 100.0 94.0 7.0 97.0 1.0 103.0 1.7 104.0 1.5 108.0 1.7 109.0 5.5 110.0 4.1 114.0 1.7 118.0 2.6 119.0 5.1 124.0 1.0 135.0 36.9 136.0 9.4 137.0 2.3 193.0 1.2 194.0 19.1 195.0 5.8 227.0 4.1 228.0 21.6 229.0 3.5 230.0 1.2
400 MHz in DMSO-d6
90 MHz in CDCl3
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1H NMR 399.65 MHz C13 H12 N2 S 0.036 g : 0.5 ml DMSO-d6 1,3-diphenylthiourea 
Assign. Shift(ppm)
A 9.75 B 7.496 C 7.326 D 7.122
Hz ppm Int.3895.77 9.748 586 3001.18 7.510 655 2999.90 7.507 840 2992.57 7.488 974 2991.66 7.486 940 2937.81 7.351 155 2935.98 7.347 704 2933.96 7.342 293 2928.47 7.328 1000 2921.87 7.312 309 2920.04 7.307 704 2918.03 7.302 167 2854.47 7.143 210 2853.37 7.140 376 2852.27 7.137 252 2846.04 7.122 606 2839.81 7.106 179 2838.71 7.103 275 2837.43 7.100 175
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1H NMR 89.56 MHz C13 H12 N2 S 0.039 g : 0.5 ml CDCl3 1,3-diphenylthiourea Assign. Shift(ppm)
A 8.2 B 7.43 to 7.22
Hz ppm Int.733.00 8.185 53 665.88 7.436 28 663.00 7.403 176 660.88 7.380 144 659.13 7.360 1000 656.56 7.331 123 655.38 7.318 133 653.00 7.292 86 651.56 7.276 51 650.19 7.260 41 649.38 7.251 63 648.38 7.240 23 646.94 7.224 39
in DMSO-d6
in CDCl3
KBr disc
nujol mull
