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Methyl 4-{[3-(benzyloxy)phenyl]amino}-4-oxobutanoate
SpectraBase Compound ID 53fWjRKWL4W
InChI InChI=1S/C18H19NO4/c1-22-18(21)11-10-17(20)19-15-8-5-9-16(12-15)23-13-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H,19,20)
InChIKey RQVHWJLDLQAOAN-UHFFFAOYSA-N
Mol Weight 313.35 g/mol
Molecular Formula C18H19NO4
Exact Mass 313.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1OyehI0zfY
Name Methyl 4-{[3-(benzyloxy)phenyl]amino}-4-oxobutanoate
Appearance Colorless solid
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Formula C18H19NO4
InChI InChI=1S/C18H19NO4/c1-22-18(21)11-10-17(20)19-15-8-5-9-16(12-15)23-13-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H,19,20)
InChIKey RQVHWJLDLQAOAN-UHFFFAOYSA-N
Instrument Name HP 6890 Series
Ionization Type EI
Literature Reference DOI 10.1002/anie.201814193
Molecular Weight 313.353 g/mol
Reported Formula C18H19NO4
SMILES N(C(CCC(OC)=O)=O)c1cc(ccc1)OCc1ccccc1
SPLASH splash10-0006-9202000000-b88c535123c5e77f1e21
Source of Spectrum ACI-58-SM9-S2
Thin-Layer Chromatography Rf = 0.24 (Cy/EtOAc, 2:1)
Wiley ID 1843130