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2-(4-Morpholino-1-phenyl-butyl)malonic acid diethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-(4-Morpholino-1-phenyl-butyl)malonic acid diethyl ester
SpectraBase Compound ID 410PsrCci5M
InChI InChI=1S/C21H31NO5/c1-3-26-20(23)19(21(24)27-4-2)18(17-9-6-5-7-10-17)11-8-12-22-13-15-25-16-14-22/h5-7,9-10,18-19H,3-4,8,11-16H2,1-2H3
InChIKey PQOGJOOHVUDMIK-UHFFFAOYSA-N
Mol Weight 377.48 g/mol
Molecular Formula C21H31NO5
Exact Mass 377.220223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cd80U9ZrPrG
Name 2-(4-Morpholino-1-phenyl-butyl)malonic acid diethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 377.220223097 u
Formula C21H31NO5
InChI InChI=1S/C21H31NO5/c1-3-26-20(23)19(21(24)27-4-2)18(17-9-6-5-7-10-17)11-8-12-22-13-15-25-16-14-22/h5-7,9-10,18-19H,3-4,8,11-16H2,1-2H3
InChIKey PQOGJOOHVUDMIK-UHFFFAOYSA-N
Molecular Weight 377.481 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)C(C=1C=CC=CC1)CCCN1CCOCC1