Pemoline(2152-34-3) Raman
Molecular FormulaC9H8N2O2
Molecular Weight176.17
InChIInChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12)
InChIKey NRNCYVBFPDDJNE-UHFFFAOYSA-N
SmilesO1C(C2=CC=CC=C2)C(=O)N=C1N
90 MHz in DMSO-d6
-
1H NMR 89.56 MHz C9 H8 N2 O2 0.041 g : 0.5 ml DMSO-d6 2-imino-5-phenyl-4-oxazolidinone 
Assign. Shift(ppm)
A 8.63 B 7.58 to 7.15 C 5.713
Hz ppm Int.771.56 8.616 135 671.63 7.500 48 670.06 7.482 43 667.88 7.458 188 666.00 7.437 184 663.06 7.404 526 660.75 7.378 1000 658.50 7.353 530 657.06 7.337 563 656.63 7.332 567 653.25 7.294 264 652.44 7.285 220 651.31 7.273 99 648.81 7.245 163 646.81 7.223 89 511.63 5.713 869
in DMSO-d6
KBr disc
4880 A,200 M,powder
