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N-Propanoyl-4-(p-tolyl)-3-morpholinopyrrol- 2-carboxylic acid, ethyl ester
SpectraBase Compound ID c2ubhOObk2
InChI InChI=1S/C21H26N2O4/c1-4-18(24)23-14-17(16-8-6-15(3)7-9-16)19(20(23)21(25)27-5-2)22-10-12-26-13-11-22/h6-9,14H,4-5,10-13H2,1-3H3
InChIKey BGHZWHBHYSNVHU-UHFFFAOYSA-N
Mol Weight 370.45 g/mol
Molecular Formula C21H26N2O4
Exact Mass 370.189257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HBsjcwIwT5p
Name N-Propanoyl-4-(p-tolyl)-3-morpholinopyrrol- 2-carboxylic acid, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 370.189257321 u
Formula C21H26N2O4
InChI InChI=1S/C21H26N2O4/c1-4-18(24)23-14-17(16-8-6-15(3)7-9-16)19(20(23)21(25)27-5-2)22-10-12-26-13-11-22/h6-9,14H,4-5,10-13H2,1-3H3
InChIKey BGHZWHBHYSNVHU-UHFFFAOYSA-N
Molecular Weight 370.449 g/mol
SMILES C=1N(C(C(OCC)=O)=C(C1C1=CC=C(C=C1)C)N1CCOCC1)C(CC)=O