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(+-)-N-(propiophenone-2-yl)-2',3'-diethoxycarbonyl-1'-propenylamine
SpectraBase Compound ID 5C2pC7vrJ37
InChI InChI=1S/C18H23NO5/c1-4-23-16(20)11-15(18(22)24-5-2)12-19-13(3)17(21)14-9-7-6-8-10-14/h6-10,12-13,19H,4-5,11H2,1-3H3/b15-12+
InChIKey VBYNSOYBWXJBDK-NTCAYCPXSA-N
Mol Weight 333.38 g/mol
Molecular Formula C18H23NO5
Exact Mass 333.157623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B4YD7rKUaPE
Name (+-)-N-(propiophenone-2-yl)-2',3'-diethoxycarbonyl-1'-propenylamine
Comments Computed using HOSE algorithm
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Exact Mass 333.157622840 u
Formula C18H23NO5
InChI InChI=1S/C18H23NO5/c1-4-23-16(20)11-15(18(22)24-5-2)12-19-13(3)17(21)14-9-7-6-8-10-14/h6-10,12-13,19H,4-5,11H2,1-3H3/b15-12+
InChIKey VBYNSOYBWXJBDK-NTCAYCPXSA-N
Molecular Weight 333.384 g/mol
SMILES C(N\C=C\(C(=O)OCC)CC(=O)OCC)(C(=O)C1=CC=CC=C1)C