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Benzoic acid, 4-[[[2-oxo-4-(phenylmethyl)-3-morpholinyl]acetyl]amino]-, ethyl ester
SpectraBase Compound ID LxpQvl9yxzG
InChI InChI=1S/C22H24N2O5/c1-2-28-21(26)17-8-10-18(11-9-17)23-20(25)14-19-22(27)29-13-12-24(19)15-16-6-4-3-5-7-16/h3-11,19H,2,12-15H2,1H3,(H,23,25)
InChIKey QVVVVWVXCNMAJL-UHFFFAOYSA-N
Mol Weight 396.44 g/mol
Molecular Formula C22H24N2O5
Exact Mass 396.168522 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JcikJJCOJd3
Name Benzoic acid, 4-[[[2-oxo-4-(phenylmethyl)-3-morpholinyl]acetyl]amino]-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.168521876 u
Formula C22H24N2O5
InChI InChI=1S/C22H24N2O5/c1-2-28-21(26)17-8-10-18(11-9-17)23-20(25)14-19-22(27)29-13-12-24(19)15-16-6-4-3-5-7-16/h3-11,19H,2,12-15H2,1H3,(H,23,25)
InChIKey QVVVVWVXCNMAJL-UHFFFAOYSA-N
Molecular Weight 396.443 g/mol
SMILES N(C(CC1N(CC2=CC=CC=C2)CCOC1=O)=O)C=1C=CC(C(=O)OCC)=CC1