Phenylurea(64-10-8) 1H NMR
Product NamePhenylurea
CAS64-10-8
Molecular FormulaC7H8N2O
Molecular Weight136.15
InChIInChI=1S/C7H8N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
InChIKey LUBJCRLGQSPQNN-UHFFFAOYSA-N
SmilesN(C1=CC=CC=C1)C(N)=O
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MassMS-NW-0195 phenylurea C7H8N2O (Mass of molecular ion: 136)
Source Temperature: 200 °C Sample Temperature: 0 °C Direct, 75 eV
18.0 1.5 27.0 1.1 28.0 2.2 37.0 1.4 38.0 3.9 39.0 13.5 40.0 2.4 41.0 2.3 43.0 1.0 44.0 7.9 50.0 2.7 51.0 4.1 52.0 2.7 54.0 2.1 62.0 1.9 63.0 4.4 64.0 3.9 65.0 17.5 66.0 25.7 67.0 2.8 77.0 3.6 78.0 1.2 91.0 3.2 92.0 10.3 93.0 100.0 94.0 7.4 119.0 2.8 136.0 39.1 137.0 3.5
90 MHz in DMSO-d6
400 MHz in DMSO-d6
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1H NMR 89.56 MHz C7 H8 N2 O 0.048 g : 0.5 ml DMSO-d6 phenylurea 
Assign. Shift(ppm)
A 8.49 B 7.39 C 7.22 D 6.905 E 5.83
Hz ppm Int.760.25 8.489 323 670.81 7.491 44 669.19 7.472 355 667.56 7.454 554 665.31 7.429 177 663.75 7.412 60 662.38 7.396 243 661.44 7.386 448 660.31 7.373 1000 659.06 7.359 885 656.75 7.334 175 654.63 7.310 216 653.81 7.301 449 653.13 7.293 676 650.94 7.269 172 649.56 7.253 49 648.38 7.240 170 646.81 7.223 606 646.13 7.215 823 644.19 7.193 314 642.31 7.172 44 639.81 7.144 194 638.13 7.126 370 635.75 7.099 58 624.94 6.978 252 623.44 6.962 469 621.75 6.943 250 618.81 6.910 168 617.06 6.890 333 616.38 6.883 373 613.94 6.856 125 610.88 6.821 105 609.50 6.806 166 608.00 6.789 94 521.75 5.826 501
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1H NMR 399.65 MHz C7 H8 N2 O 0.040 g : 0.5 ml DMSO-d6 phenylurea Assign. Shift(ppm)
A 8.53 B 7.411 C 7.221 D 6.898 E 5.88
Hz ppm Int.3410.89 8.535 540 2967.04 7.425 719 2965.94 7.422 856 2963.99 7.417 274 2958.37 7.403 1000 2957.40 7.400 851 2955.20 7.395 136 2895.75 7.246 141 2893.80 7.241 733 2891.85 7.236 248 2888.43 7.228 200 2886.47 7.223 950 2885.38 7.220 768 2879.76 7.206 259 2877.93 7.202 638 2875.85 7.196 94 2764.89 6.919 206 2763.79 6.916 358 2762.57 6.913 211 2757.57 6.900 313 2756.47 6.898 603 2755.37 6.895 312 2750.24 6.882 175 2749.02 6.879 280 2747.92 6.876 158 2349.73 5.880 693
in DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
