John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=10Id4aiMiZz SpectraBase Spectrum ID=1m5MGyYxTuR

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2-[3-(4-CHLOROPHENYL)-UREIDO]-3-(DIMETHYLAMINO)-PROPANOIC-ACID
SpectraBase Compound ID 10Id4aiMiZz
InChI InChI=1S/C12H16ClN3O3/c1-16(2)7-10(11(17)18)15-12(19)14-9-5-3-8(13)4-6-9/h3-6,10H,7H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKey YPNQUZCRWUGWTQ-UHFFFAOYSA-N
Mol Weight 285.73 g/mol
Molecular Formula C12H16ClN3O3
Exact Mass 285.088019 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1m5MGyYxTuR
Name 2-[3-(4-CHLOROPHENYL)-UREIDO]-3-(DIMETHYLAMINO)-PROPANOIC-ACID
Compound Number 2D
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Formula C12H16ClN3O3
InChI InChI=1S/C12H16ClN3O3/c1-16(2)7-10(11(17)18)15-12(19)14-9-5-3-8(13)4-6-9/h3-6,10H,7H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKey YPNQUZCRWUGWTQ-UHFFFAOYSA-N
Literature Reference Author F.FUJISAKI,K.SHOJI,K.SUMOTO
Literature Reference Citation CHEM.PHARM.BULL.,57,1415(2009)
Literature Reference DOI 10.1248/cpb.57.1415
Molecular Weight 285.730 g/mol
Sample ID 3224
Solvent DMSO-D6
SpectraBase Batch ID Iqbf5BwMqQU