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N-Acetyl-4-(4-chlorphenyl)-3-morpholinopyrrol-2-carboxylic acid, methyl ester

View entire compound with spectra: 1 NMR

N-Acetyl-4-(4-chlorphenyl)-3-morpholinopyrrol-2-carboxylic acid, methyl ester
SpectraBase Compound ID LB07ZlcH8Fx
InChI InChI=1S/C18H19ClN2O4/c1-12(22)21-11-15(13-3-5-14(19)6-4-13)16(17(21)18(23)24-2)20-7-9-25-10-8-20/h3-6,11H,7-10H2,1-2H3
InChIKey SXAMFAXIDDKQSQ-UHFFFAOYSA-N
Mol Weight 362.81 g/mol
Molecular Formula C18H19ClN2O4
Exact Mass 362.103335 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DO1CSeyA2cn
Name N-Acetyl-4-(4-chlorphenyl)-3-morpholinopyrrol-2-carboxylic acid, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 362.103334796 u
Formula C18H19ClN2O4
InChI InChI=1S/C18H19ClN2O4/c1-12(22)21-11-15(13-3-5-14(19)6-4-13)16(17(21)18(23)24-2)20-7-9-25-10-8-20/h3-6,11H,7-10H2,1-2H3
InChIKey SXAMFAXIDDKQSQ-UHFFFAOYSA-N
Molecular Weight 362.813 g/mol
SMILES C=1N(C(C(OC)=O)=C(C1C1=CC=C(C=C1)Cl)N1CCOCC1)C(C)=O