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Methyl 4-[2-(4-aminophenyl)ethyl]-3-oxoheptanoate
SpectraBase Compound ID 266pdbFjpi
InChI InChI=1S/C16H23NO3/c1-3-4-13(15(18)11-16(19)20-2)8-5-12-6-9-14(17)10-7-12/h6-7,9-10,13H,3-5,8,11,17H2,1-2H3
InChIKey VGNDHDJOJBMXGQ-UHFFFAOYSA-N
Mol Weight 277.36 g/mol
Molecular Formula C16H23NO3
Exact Mass 277.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49zi0MtuKW
Name Methyl 4-[2-(4-aminophenyl)ethyl]-3-oxoheptanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23NO3
InChI InChI=1S/C16H23NO3/c1-3-4-13(15(18)11-16(19)20-2)8-5-12-6-9-14(17)10-7-12/h6-7,9-10,13H,3-5,8,11,17H2,1-2H3
InChIKey VGNDHDJOJBMXGQ-UHFFFAOYSA-N
Molecular Weight 277.364 g/mol
SMILES Nc1ccc(CCC(C(CC(=O)OC)=O)CCC)cc1
SPLASH splash10-066r-0900000000-f61a3b1bc801d400084a
Source of Spectrum J-63-1858-9
Synonyms 4-[2-(4-aminophenyl)ethyl]-3-oxoheptanoic acid methyl ester Methyl 4-[2-(4-aminophenyl)ethyl]-3-oxo-heptanoate Methyl 4-[2-(4-aminophenyl)ethyl]-3-oxidanylidene-heptanoate
Wiley ID 1281114