N-ACETYL-N'-PHENYLUREA(102-03-4) 13C NMR
Product NameN-ACETYL-N'-PHENYLUREA
CAS102-03-4
Molecular FormulaC9H10N2O2
Molecular Weight178.19
InChIInChI=1S/C9H10N2O2/c1-7(12)10-9(13)11-8-5-3-2-4-6-8/h2-6H,1H3,(H2,10,11,12,13)
InChIKey RUPVBKFFZNPEPS-UHFFFAOYSA-N
SmilesC(NC(NC1=CC=CC=C1)=O)(=O)C
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Assign. Shift(ppm)
A *1 10.7 B *1 10.6 C *1 9.9 D 7.598 E 7.522 F 7.33 G 7.293 J 7.090 K 7.028 L 2.116 M 2.055Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
172.76 86 1 169.05 127 8 151.88 82 2 9 138.19 306 10 137.19 105 3 129.03 357 4 128.90 1000 11 128.79 71 5 124.46 184 12 124.31 254 6 120.52 364 13 24.30 185 14 24.02 137 7Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : KBr disc
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Spectral Code: Raman : 4880 A,200 M,powder