1,3-Diphenylurea (102-07-8) Raman
Product Name1,3-Diphenylurea
CAS102-07-8
Molecular FormulaC13H12N2O
Molecular Weight212.25
InChIInChI=1S/C13H12N2O/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 GWEHVDNNLFDJLR-UHFFFAOYSA-N
SmilesN(C1=CC=CC=C1)C(NC1=CC=CC=C1)=O
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MassMS-NW-0416 1,3-diphenylurea C13H12N2O (Mass of molecular ion: 212)
Source Temperature: 190 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 1.9 28.0 3.0 37.0 1.4 38.0 3.0 39.0 7.1 40.0 1.7 41.0 2.1 46.5 1.1 50.0 2.0 51.0 4.7 52.0 1.9 54.0 1.1 62.0 1.1 63.0 3.4 64.0 6.7 65.0 10.8 66.0 12.5 67.0 1.3 77.0 6.6 78.0 1.0 91.0 10.6 92.0 8.0 93.0 100.0 94.0 7.1 119.0 24.2 120.0 2.6 212.0 16.8 213.0 2.5
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C13 H12 N2 O 0.038 g : 0.5 ml DMSO-d6 1,3-diphenylurea 
Assign. Shift(ppm)
A 8.63 B 7.46 C 7.29 D 6.980
Hz ppm Int.772.75 8.629 426 680.38 7.597 31 680.00 7.593 30 679.25 7.585 31 674.94 7.537 318 673.31 7.518 528 671.13 7.494 152 669.94 7.481 52 668.13 7.461 248 667.13 7.449 458 666.06 7.438 1000 664.88 7.424 852 662.50 7.398 165 659.81 7.368 474 659.13 7.360 644 656.88 7.335 163 654.31 7.306 166 652.75 7.289 643 652.00 7.281 794 650.19 7.260 307 648.50 7.241 53 647.50 7.230 43 645.81 7.211 198 644.13 7.193 387 641.75 7.166 59 638.44 7.129 30 637.69 7.121 34 637.38 7.117 34 631.69 7.054 230 630.19 7.037 432 628.50 7.018 232 627.25 7.004 32 625.56 6.985 153 623.81 6.966 334 623.19 6.959 365 621.50 6.940 57 620.69 6.931 112 617.63 6.897 98 616.25 6.881 154 614.75 6.865 81
in DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
