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Acetic acid [2-[(4-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl] ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

Acetic acid [2-[(4-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl] ester
SpectraBase Compound ID 96YtZUlIC6x
InChI InChI=1S/C18H19NO4/c1-13(20)23-17(15-6-4-3-5-7-15)18(21)19-12-14-8-10-16(22-2)11-9-14/h3-11,17H,12H2,1-2H3,(H,19,21)
InChIKey WMMSZZPVOFQUCR-UHFFFAOYSA-N
Mol Weight 313.35 g/mol
Molecular Formula C18H19NO4
Exact Mass 313.131408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CHVDBKy1Hdo
Name Acetic acid, 2-[[(4-methoxyphenyl)methyl]amino]-2-oxo-1-phenylethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 313.131408092 u
Formula C18H19NO4
InChI InChI=1S/C18H19NO4/c1-13(20)23-17(15-6-4-3-5-7-15)18(21)19-12-14-8-10-16(22-2)11-9-14/h3-11,17H,12H2,1-2H3,(H,19,21)
InChIKey WMMSZZPVOFQUCR-UHFFFAOYSA-N
Molecular Weight 313.353 g/mol
SMILES C(C(OC(=O)C)C1=CC=CC=C1)(NCC1=CC=C(OC)C=C1)=O